SCHEMBL6750379

SCHEMBL6750379

Nc1ccc2ccccc2c1Cc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ PNP P00491 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37

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
SCHEMBL6755241 0.81 HSD17B10 (0.66) KDM4ESMN1; SMN2HPGDHSD17B10CYP1A2
SCHEMBL9294181 0.80 HSD17B10 (0.57) KDM4EHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL29625674 0.80 HSD17B10 (0.57) KDM4EHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL7022414 0.77 TAAR1 (0.47) PNPCYP2C9CYP2C19LMNATAAR1
SCHEMBL6753122 0.76 CYP2C9 (0.50) KDM4ESMN1; SMN2HPGDHSD17B10CYP2C9
Hydrochloric Acid SCHEMBL15129169 0.75 TAAR1 (0.45) PNPCYP2C9LMNATAAR1TSHR
SCHEMBL4931272 0.74 HSD17B10 (0.46) KDM4ESMN1; SMN2HPGDHSD17B10CYP1A2
SCHEMBL6755235 0.73 HPGD (0.55) KDM4ESMN1; SMN2HPGDCYP1A2CYP2C9
SCHEMBL23515204 0.71 HSD17B10 (0.79) KDM4EHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL29625694 0.71 HSD17B10 (0.79) KDM4EHPGDHSD17B10CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077821-A1 Flame retarding resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 — — US disclosed
Send feedback