SCHEMBL6963052

SCHEMBL6963052

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
ENPP2 Q13822 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL6957586 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6955311 0.87 KDM1A (0.46) SMN1; SMN2NPC1RAB9ALMNAHDAC3
SCHEMBL6951992 0.87 KDM1A (0.46) SMN1; SMN2NPC1RAB9ALMNAHDAC3
SCHEMBL6954183 0.87 MAOB (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7897822 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7889259 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6951043 0.81 POLB (0.53) SMN1; SMN2NPC1RAB9AKDM4EMAOA
SCHEMBL6961044 0.81 POLB (0.53) SMN1; SMN2NPC1RAB9AKDM4EMAOA
SCHEMBL6960427 0.81 KMT2A (0.58) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6952499 0.80 GPR35 (0.57) SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
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