SCHEMBL6961795

SCHEMBL6961795

CCCOc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP19A1 P11511 1/20 0.43
TSHR P16473 2/20 0.40
ERN1 O75460 1/20 0.40
LMNA P02545 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 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
SCHEMBL6954732 0.93 SMN1; SMN2 (0.52) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6960023 0.91 TSHR (0.54) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6962658 0.91 TSHR (0.54) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6957090 0.88 FGFR2 (0.50) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6961454 0.82 GP6 (0.49) NPC1RAB9A
SCHEMBL6494392 0.82 RAB9A (0.56) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL9526113 0.81 MAPT (0.41) KDM4EMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL703677 0.80 DCUN1D1 (0.54) KDM4EMAPTKMT2ACYP1A2CYP2C9
SCHEMBL6962302 0.80 NAAA (0.43) HDAC6
SCHEMBL1233637 0.80 SLC22A12 (0.62) KMT2ATSHRCYSLTR1FGFR1FGFR2

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