SCHEMBL6958346

SCHEMBL6958346

N=C(NN)c1ccccc1CCCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.43
BID P55957 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
BAK1 Q16611 1/20 0.43
MAOA P21397 1/20 0.42
NOS1 P29475 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ADRB2 P07550 1/20 0.41
HDAC1 Q13547 2/20 0.41
MAOB P27338 1/20 0.41
ALOX5 P09917 1/20 0.41
HDAC2 Q92769 1/20 0.41
SPHK1 Q9NYA1 2/20 0.40

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
SCHEMBL6961297 1.00 SIGMAR1 (0.43) SIGMAR1BIDBCL2L1MCL1BAK1
SCHEMBL6955302 0.98 MAOA (0.43) SIGMAR1BIDBCL2L1MCL1BAK1
SCHEMBL6961344 0.89 ALDH1A1 (0.51) MAOANOS1MAPTALDH1A1ADRB2
SCHEMBL6949124 0.84 LIPG (0.50) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL6955322 0.84 LIPG (0.50) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL6955710 0.81 CYP3A4 (0.42) MAPTALDH1A1HDAC1ALOX5HDAC2
SCHEMBL6955079 0.80 CYP2D6 (0.49) BCL2L1MAPTALDH1A1
SCHEMBL6951952 0.80 KMT2A (0.46) MAPTHDAC1ALOX5HDAC2
SCHEMBL6953759 0.80 KMT2A (0.46) MAPTHDAC1ALOX5HDAC2
SCHEMBL6958147 0.79 HDAC1 (0.54) SIGMAR1MAOANOS1MAPTRXFP1

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