SCHEMBL2668985

SCHEMBL2668985

CNC(C)c1ccc2cc(C)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.52
▸ CYP2A6 P11509 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.45
▸ MMP9 P14780 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ UGT2B7 P16662 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ PDE2A O00408 1/20 0.34

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
SCHEMBL1320202 0.82 UGT2B7 (0.59) CYP1A2MMP9SLC6A4KCNH2UGT2B7
SCHEMBL13804034 0.82 UGT2B7 (0.59) CYP1A2MMP9SLC6A4KCNH2UGT2B7
SCHEMBL178531 0.82 UGT2B7 (0.59) CYP1A2MMP9SLC6A4KCNH2UGT2B7
SCHEMBL7915628 0.79 CYP2A6 (0.62) CYP1A2CYP2A6TDP1ALDH1A1UGT2B7
SCHEMBL30253980 0.79 CYP2A6 (0.62) CYP1A2CYP2A6TDP1ALDH1A1UGT2B7
SCHEMBL8285887 0.78 ALDH1A1 (0.52) TDP1ALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL8284259 0.78 ALDH1A1 (0.52) TDP1ALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL178538 0.78 ALDH1A1 (0.52) TDP1ALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL24258312 0.77 ALOX5 (0.60) CYP1A2CYP2A6TDP1ALOX5CYP2D6
SCHEMBL2669155 0.75 ACHE (0.46) CYP1A2ALDH1A1SLC6A4CYP2D6

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
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 — — US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 — — EP disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 — — WO disclosed
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