SCHEMBL10469256

SCHEMBL10469256

O=c1cc(C2(Br)CCCC2)oc2c(CBr)cccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
STAT6 P42226 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
PRKDC P78527 5/20 0.33
GPR35 Q9HC97 6/20 0.32
SSTR2 P30874 1/20 0.31
SSTR4 P31391 1/20 0.31
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL10470472 0.99 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL10470625 0.99 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL28769022 0.90 LOXL2 (0.34) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL27684044 0.88 LOXL2 (0.33) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL10469238 0.85 PRKDC (0.33) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL10470040 0.84 PRKDC (0.33) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL10469276 0.84 PRKDC (0.33) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL10469136 0.79 CDK1 (0.36) CDK1CCNB1SSTR2SSTR4
SCHEMBL9160788 0.74 CYP1A2 (0.40) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL27702776 0.72 SSTR2 (0.35) CDK1CCNB1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904690-A Chromone derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-27 US disclosed
EP-0283761-A1 Chromone derivatives Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed