SCHEMBL9128690

SCHEMBL9128690

Cc1cccc2ncc(C(=O)NC3CC3)c(=O)n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
ALDH1A1 P00352 2/20 0.44
GPR6 P46095 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
RIPK2 O43353 1/20 0.41
TSHR P16473 2/20 0.41
P2RX7 Q99572 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
RIPK1 Q13546 1/20 0.40
HSD17B10 Q99714 2/20 0.40
TGFBR1 P36897 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL18608547 0.95 CNR2 (0.47) NPC1RAB9ACNR2
SCHEMBL9132837 0.95 ALDH1A1 (0.50) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9129366 0.94 ALDH1A1 (0.49) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9130840 0.94 ALDH1A1 (0.49) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9130815 0.94 ALDH1A1 (0.49) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18608414 0.92 TGFBR1 (0.44) HPGDALDH1A1GPR6SMN1; SMN2P2RX7
SCHEMBL18608648 0.91 LIPG (0.50) HPGDALDH1A1GPR6RIPK1L3MBTL1
SCHEMBL18608345 0.89 CNR2 (0.42) GPR6TSHRCNR2
SCHEMBL18608560 0.86 MTNR1A (0.47) HPGDALDH1A1GPR6NPC1RAB9A
SCHEMBL9595724 0.83 HSD11B1 (0.45) HPGDALDH1A1SMN1; SMN2HTTCNR2

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
US-5387588-A Antiulcer agents CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-02-07 US disclosed
US-5252572-A Antiulcer agent CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-10-12 US disclosed
US-5158951-A Pyridopyrimidine derivatives useful in treatment of ulcers CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYAR RT. (HU) 1992-10-27 US disclosed