SCHEMBL7889259

SCHEMBL7889259

CCCCCCCCC(=O)Nc1ccc2oc(C(N)=S)cc(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ENPP2 Q13822 1/20 0.45
DGAT2 Q96PD7 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7897822 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7896334 0.86 NPC1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL7889292 0.86 NPC1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL7897421 0.86 MAOB (0.47) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6963052 0.85 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6957586 0.85 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6962459 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6961170 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7896345 0.80 POLB (0.52) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL7899220 0.80 KMT2A (0.57) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed