SCHEMBL9044359

SCHEMBL9044359

O=C(Nc1ccc(O)cc1)c1ccncc1C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 2/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 3/20 0.42
P2RX1 P51575 1/20 0.42
PRKCI P41743 1/20 0.41
DEGS1 O15121 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NQO2 P16083 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL9041316 0.78 EPHX1 (0.45) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL9043728 0.77 HSD11B1 (0.41) LMNAKMT2AMEN1
SCHEMBL9044489 0.76 CNR2 (0.52) ALDH1A1KDM4EHPGDNPSR1
SCHEMBL19474859 0.75 KMT2A (0.69) TP53LMNAGAADEGS1ALDH1A1
SCHEMBL9043610 0.74 CNR2 (0.38) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL9125076 0.73 KMT2A (0.57) NPC1RAB9ALMNAGAAP2RX1
SCHEMBL1070529 0.71 HTT (0.50) NPC1RAB9ASMN1; SMN2ROCK2ROCK1
SCHEMBL8261428 0.70 GAA (0.85) TP53SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL9307980 0.69 KDM4C (0.56) SMN1; SMN2L3MBTL1GAAALDH1A1KMT2A
SCHEMBL9127816 0.69 ABCG2 (0.55) NPC1RAB9ATP53SMN1; SMN2LMNA

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
EP-0578419-B1 Pyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1996-09-04 EP disclosed
US-5374634-A Treating osteoporosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-20 US disclosed
EP-0578419-A1 Pyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-01-12 EP disclosed