SCHEMBL9682459

SCHEMBL9682459

COc1ccc(-n2nc(N3CCN(C(N)=O)CC3)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 3/20 0.47
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
SCN9A Q15858 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46
CDK1 P06493 2/20 0.45
IGF1R P08069 2/20 0.45
FGFR1 P11362 2/20 0.45
BRAF P15056 2/20 0.45
FGFR2 P21802 2/20 0.45
FGFR4 P22455 2/20 0.45
FGFR3 P22607 2/20 0.45
JAK1 P23458 2/20 0.45
CDK2 P24941 2/20 0.45

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
SCHEMBL9680653 0.87 PTGER1 (0.43) POLBTP53MAPTSCN9ALMNA
SCHEMBL9681935 0.87 PTGER1 (0.49) TP53MAPTFAAHMGLLSCN9A
SCHEMBL9763071 0.86 PTGER1 (0.44) MAPTMGLLSCN9ALMNAMEN1
SCHEMBL9680606 0.85 TP53 (0.45) POLBTP53MAPTSCN9ALMNA
SCHEMBL9681274 0.83 HRH4 (0.49) POLBMAPTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9680640 0.82 HRH4 (0.48) POLBMAPTLMNAMEN1KMT2A
SCHEMBL9763297 0.82 SCN9A (0.46) MAPTSCN9ALMNAKMT2ASMN1; SMN2
SCHEMBL9681219 0.80 KHK (0.56) TP53LMNAMEN1KMT2ATSHR
SCHEMBL10582471 0.80 USP7 (0.46) POLBMAPTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9681291 0.79 KHK (0.55) TP53LMNAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999356-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-03-12 US claimed
US-5134236-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-28 US disclosed
US-4999356-A Analgesics, antidepressants, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-03-12 US disclosed
EP-0302423-A2 1-Phenyl-3-(1-piperazinyl)-1h-indazoles, a process and intermediates for their preparation, and the use thereof as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-02-08 EP disclosed