SCHEMBL11033221

SCHEMBL11033221

Cc1ccc(C)c(-c2nncs2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
AR P10275 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL31301174 0.77 RAB9A (0.44) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL21240990 0.73 CYP17A1 (0.40) CYP19A1
SCHEMBL30441982 0.72 NOTUM (0.41) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL28491322 0.72 NOTUM (0.41) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL1290082 0.70 SRC (0.50) MEN1KMT2AATMRAB9ARECQL
SCHEMBL197716 0.70 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2AATM
SCHEMBL24090260 0.69 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL27882111 0.69 MEN1 (0.35) ALDH1A1TDP1MEN1KMT2AAR
SCHEMBL11564805 0.67 PTGS1 (0.42) ALDH1A1TDP1MEN1KMT2AATM
SCHEMBL14016503 0.67 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163416-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP disclosed