SCHEMBL7809398

SCHEMBL7809398

Cc1[nH]c2ccccc2c1C(C)(C)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ AHR P35869 1/20 0.50
▸ HTR6 P50406 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ HPGD P15428 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
SCHEMBL8480041 0.86 CYP3A4 (0.47) MAPTCYP3A4AHRHTR6CYP1A2
SCHEMBL14214508 0.81 AHR (0.57) MAPTCYP3A4AHRHTR6CYP1A2
SCHEMBL24611517 0.76 AHR (0.55) MAPTCYP3A4AHRCYP1A2CYP2C9
SCHEMBL24367843 0.75 AHR (0.50) MAPTCYP3A4AHRHTR6CYP1A2
SCHEMBL4241023 0.74 AHR (0.48) MAPTCYP3A4AHRHTR6CYP1A2
SCHEMBL7915043 0.73 AHR (0.52) MAPTCYP3A4AHRHTR6CYP1A2
SCHEMBL19059390 0.70 AHR (0.44) MAPTCYP3A4AHRHTR6CYP1A2
SCHEMBL6627835 0.69 AHR (0.57) MAPTCYP3A4AHRHTR6CYP1A2
SCHEMBL154593 0.68 AHR (1.00) MAPTCYP3A4AHRHTR6CYP1A2
SCHEMBL29420757 0.68 AHR (1.00) MAPTCYP3A4AHRHTR6CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773932-B1 BENZENESULFONAMIDE DERIVATIVES USED AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-09-26 — — EP disclosed
EP-0773932-A1 BENZENESULFONAMIDE DERIVATIVES USED AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-05-21 — — EP disclosed
WO-1996040639-A1 BENZENESULFONAMIDE DERIVATIVES USED AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1996-12-19 — — WO disclosed
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