SCHEMBL7653838

SCHEMBL7653838

[CH2]CCc1c(-c2ccccc2)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 5/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 6/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MPI P34949 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HPRT1 P00492 1/20 0.35

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
SCHEMBL5010695 0.90 HSD17B10 (0.37) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7651008 0.88 MCL1 (0.38) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7654701 0.87 MCL1 (0.37) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7648626 0.85 HSD17B10 (0.41) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1537096 0.82 ALDH1A1 (0.50) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7913584 0.79 HSD17B10 (0.47) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11081853 0.79 NCEH1 (0.48) HSD17B10CYP1A2ALDH1A1TDP1TSHR
SCHEMBL6058803 0.78 GCGR (0.47) HSD17B10CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL2152213 0.78 HSD17B10 (0.41) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7913541 0.78 L3MBTL1 (0.53) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1

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-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed