SCHEMBL7900686

SCHEMBL7900686

CCCCCCCCc1ccc(C(N)=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
ESR1 P03372 2/20 0.58
ADRA2A P08913 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
TACR2 P21452 2/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
SHBG P04278 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
HSPD1 P10809 1/20 0.58
ADRB3 P13945 1/20 0.58
HTR2C P28335 1/20 0.58
HSPE1 P61604 1/20 0.58
HIF1A Q16665 1/20 0.58
TST Q16762 1/20 0.58

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
SCHEMBL15654657 1.00 SMN1; SMN2 (0.60) SMN1; SMN2ESR1ADRA2AADORA3TACR2
SCHEMBL7897900 1.00 SMN1; SMN2 (0.60) SMN1; SMN2ESR1ADRA2AADORA3TACR2
SCHEMBL15655566 1.00 SMN1; SMN2 (0.60) SMN1; SMN2ESR1ADRA2AADORA3TACR2
SCHEMBL15679902 0.98 SMN1; SMN2 (0.62) SMN1; SMN2ESR1ADRA2AADORA3TACR2
SCHEMBL6889098 0.92 SMN1; SMN2 (0.64) SMN1; SMN2ESR1ADRA2AADORA3TACR2
SCHEMBL6861222 0.85 ESR1 (0.62) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7897931 0.84 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KDM4ELMNACYP3A4
SCHEMBL7889275 0.83 HDAC1 (0.54) SMN1; SMN2HTR2AMAPT
SCHEMBL9351713 0.83 RARB (0.62) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL3964846 0.83 THRA (0.60) ESR1ADRA2AADORA3TACR2SLC6A2

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