SCHEMBL8580942

SCHEMBL8580942

CCCCCc1cc(Br)c(Oc2ccc(N)cc2)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.41
THRB P10828 5/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTR2A P28223 1/20 0.40
MAPT P10636 1/20 0.40
PTGS2 P35354 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8580621 0.95 SKP2 (0.41) THRATHRBMAPTCYP3A4ALDH1A1
SCHEMBL8582003 0.89 MAPT (0.43) THRATHRBMAPTCYP3A4ALDH1A1
SCHEMBL8578501 0.84 SKP2 (0.45) CA1CA2CA9HTR2AMAPT
SCHEMBL8581494 0.83 MAPT (0.46) THRATHRBMAPTCYP3A4ALDH1A1
SCHEMBL8468719 0.79 HTR2A (0.58) THRATHRBCA2HTR2AMAPT
SCHEMBL8153213 0.79 MAPT (0.48) THRATHRBMAPTCYP3A4ALDH1A1
SCHEMBL8579599 0.79 SKP2 (0.50) MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL3142103 0.79 THRB (0.44) THRATHRBMAPTALDH1A1
SCHEMBL8504735 0.78 HTR2A (0.61) THRATHRBHTR2AMAPTPTGS2
SCHEMBL8468968 0.78 HTR2A (0.61) THRATHRBHTR2AMAPTPTGS2

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-5744203-A POLYMER MIXTURES OF POLYURETHANES, POLYESTERS, POLYIMIDES, POLYCARBONATES AND POLYUREAS HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
US-5670084-A Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed