SCHEMBL6962658

SCHEMBL6962658

CCCCCCCCOc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMPD1 P17405 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX5 P09917 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PLA2G4B P0C869 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
PTPN11 Q06124 1/20 0.41
GGPS1 O95749 1/20 0.41
SOAT1 P35610 1/20 0.40
DHFR P00374 1/20 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
SCHEMBL6960023 1.00 TSHR (0.54) TSHRSMN1; SMN2CYP1A2CYP19A1CYP2C9
SCHEMBL6954732 0.95 SMN1; SMN2 (0.52) TSHRSMN1; SMN2CYP1A2CYP19A1CYP2C9
SCHEMBL6961795 0.91 KDM4E (0.51) TSHRSMN1; SMN2CYP1A2CYP19A1CYP2C9
SCHEMBL6957090 0.85 FGFR2 (0.50) TSHRSMN1; SMN2KDM4E
SCHEMBL6956745 0.84 NAAA (0.45)
SCHEMBL6957345 0.84 NAAA (0.45)
SCHEMBL8959170 0.83 CYP2D6 (0.52) TSHRSMN1; SMN2CYP1A2CYP19A1CYP2C9
SCHEMBL4820028 0.83 CYP2D6 (0.52) TSHRSMN1; SMN2CYP1A2CYP19A1CYP2C9
SCHEMBL6956902 0.83 CYP2D6 (0.52) TSHRSMN1; SMN2CYP1A2CYP19A1CYP2C9
SCHEMBL16837391 0.82 CYP2D6 (0.51) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19

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