SCHEMBL8490703

SCHEMBL8490703

Cc1nc2ccc(CBr)cc2c(=O)n1COC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9248248 0.89 ALDH1A1 (0.45) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9697181 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9245910 0.86 POLB (0.45) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9555772 0.86 NPSR1 (0.39) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL5734450 0.82 POLB (0.41) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9515641 0.82 POLB (0.41) SMN1; SMN2NPC1ALDH1A1KDM4EPOLB
SCHEMBL9371713 0.82 HDAC1 (0.46) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8488725 0.82 MAPT (0.38) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
Bromide SCHEMBL5734269 0.81 POLB (0.41) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL7427899 0.81 POLB (0.41) SMN1; SMN2LMNAHDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955463-A ANTITUMOR, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-09-21 US disclosed
US-5444061-A Antitumor agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-08-22 US disclosed
US-5395838-A Aromatic aminomethyl substitutes compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 US disclosed
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP disclosed
EP-0339976-B1 Anti-tumour agents ICI PLC (GB) 1994-02-02 EP disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
US-5252573-A Quinazoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
EP-0509643-A1 Anti-cancer compounds BTG INTERNATIONAL LIMITED (GB) 1992-10-21 EP disclosed
WO-1992016512-A1 ANTI-CANCER COMPOUNDS BRITISH TECHNOLOGY GROUP PLC (GB) 1992-10-01 WO disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed
US-5081124-A Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed
EP-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
US-4992550-A Thymidylate synthetase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
US-4985441-A QUINAZOLINE DERIVATIVE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-15 US disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP disclosed
EP-0339976-A1 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-02 EP disclosed
EP-0239362-A2 Anti-tumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 EP disclosed