SCHEMBL9535284

SCHEMBL9535284

O=c1[nH]c(-c2cccc3ccccc23)ccc1-c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALPL P05186 1/20 0.41
GAA P10253 1/20 0.41
PDE10A Q9Y233 1/20 0.39
TYMP P19971 1/20 0.38
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
PIM1 P11309 2/20 0.36
MCL1 Q07820 1/20 0.35
NOS1 P29475 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL9754365 0.86 ALDH1A1 (0.36) KDM4EGAA
SCHEMBL9754463 0.83 PTGER3 (0.39) PIM1
SCHEMBL1250423 0.81 KDM4E (0.42) KDM4EALPLGAAGSK3BCDK5
SCHEMBL9754396 0.81 ACVR1 (0.42) KDM4E
SCHEMBL9754436 0.80 ALDH1A1 (0.33) KDM4E
SCHEMBL9754399 0.79 MAOB (0.36)
SCHEMBL9251638 0.78 PTGER3 (0.46) PIM1
SCHEMBL9754374 0.77 NPC1 (0.40) KDM4EPOLB
SCHEMBL9754431 0.75 RAB9A (0.45) KDM4EPDE10A
SCHEMBL9248549 0.73 GAA (0.39) KDM4EGAAPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO claimed
EP-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed