SCHEMBL4592874

SCHEMBL4592874

Cc1oncc1C(=O)Nc1ccccc1C(=O)Nc1nn(C(=O)O)c2sc(C(=O)O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CSF1R P07333 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 5/20 0.38
TP53 P04637 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
THRB P10828 1/20 0.35
PIM1 P11309 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAOA P21397 1/20 0.35
SLC6A2 P23975 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
SCHEMBL1779174 0.91 RAB9A (0.39) RAB9ANPC1CSF1RKDM4EALDH1A1
SCHEMBL1780244 0.81 HSD17B10 (0.38) RAB9ANPC1CSF1RKDM4EALDH1A1
SCHEMBL3866037 0.81 RAB9A (0.43) RAB9ANPC1CSF1RKDM4EALDH1A1
SCHEMBL1779652 0.80 RXFP1 (0.36) RAB9ANPC1CSF1RKDM4EALDH1A1
SCHEMBL4592913 0.79 ITGA4 (0.34) RAB9ANPC1CSF1RKDM4EALDH1A1
SCHEMBL1777881 0.77 HSD17B10 (0.35) RAB9ANPC1CSF1RKDM4EALDH1A1
SCHEMBL1778607 0.77 ALDH1A1 (0.38) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1780614 0.76 RAF1 (0.42) CSF1RFLT3
SCHEMBL1779425 0.75 MAPK1 (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1779165 0.74 KDM4E (0.38) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904503-A1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-04-02 EP disclosed
WO-2007009898-A1 1H-THIENO[2,3-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-25 WO disclosed