SCHEMBL7900661

SCHEMBL7900661

CCCCCOc1cccc2oc(C(=N)NN)cc(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HIF1A Q16665 1/20 0.45
ABCB1 P08183 2/20 0.40
HPGD P15428 1/20 0.40
SIGMAR1 Q99720 4/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 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
SCHEMBL6957427 0.97 GPR35 (0.47) GPR35LMNATDP1ABCG2MEN1
SCHEMBL6949194 0.88 HPGD (0.51) GPR35LMNATDP1ABCG2MEN1
SCHEMBL13668750 0.84 ABCG2 (0.53) GPR35LMNATDP1ABCG2MEN1
SCHEMBL9847205 0.83 GPR35 (0.66) GPR35LMNATDP1ABCG2MEN1
SCHEMBL9847108 0.82 GPR35 (0.65) GPR35LMNATDP1ABCG2MEN1
SCHEMBL7897916 0.82 GPR35 (0.49) GPR35LMNATDP1ABCG2MEN1
SCHEMBL9847173 0.82 GPR35 (0.65) GPR35LMNATDP1ABCG2MEN1
SCHEMBL6957143 0.82 ALDH1A1 (0.53) GPR35LMNATDP1ABCG2MEN1
SCHEMBL9847132 0.80 GPR35 (0.67) GPR35LMNATDP1ABCG2MEN1
SCHEMBL7896333 0.79 GPR35 (0.50) GPR35LMNATDP1ABCG2MEN1

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