SCHEMBL3419948

SCHEMBL3419948

O=C(Nc1cc[nH]n1)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.57
NPC1 O15118 10/20 0.56
RAB9A P51151 10/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
KDM4E B2RXH2 2/20 0.55
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
TP53 P04637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL3031456 0.87 NPC1 (0.45) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL7337881 0.85 PLAU (0.57)
SCHEMBL696662 0.81 KMT2A (0.58) NPC1RAB9AMEN1KMT2A
SCHEMBL7337895 0.79 DNM1 (0.38) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL3420311 0.79 NPC1 (0.59) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL12521453 0.78 MEN1 (0.62) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL3419415 0.77 CCNA2 (0.65) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL3422879 0.77 GRM5 (0.61) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL7163550 0.77 MEN1 (0.66) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3421073 0.77 NPC1 (0.63) NPC1RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO disclosed