SCHEMBL8923663

SCHEMBL8923663

Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)c(C(F)(F)F)c3)cc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 2/20 0.43
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
GFER P55789 1/20 0.40
NLRP1 Q9C000 1/20 0.40
NOD2 Q9HC29 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9680721 0.90 TSHR (0.48) KIF11ALDH1A1TSHRCYP3A4TDP1
SCHEMBL651384 0.90 TSHR (0.48) KIF11ALDH1A1TSHRCYP3A4TDP1
SCHEMBL1352801 0.89 TSHR (0.52) KIF11ALDH1A1TSHRCYP3A4TDP1
SCHEMBL29448858 0.89 TSHR (0.52) KIF11ALDH1A1TSHRCYP3A4TDP1
SCHEMBL8922262 0.89 MAOB (0.47) KIF11ALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL8145428 0.88 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL649657 0.87 TSHR (0.53) KIF11ALDH1A1TSHRCYP3A4TDP1
SCHEMBL29352455 0.87 TSHR (0.53) KIF11ALDH1A1TSHRCYP3A4TDP1
SCHEMBL8923160 0.87 ALDH1A1 (0.41) KIF11ALDH1A1TSHRCYP3A4TDP1
SCHEMBL8925369 0.86 KIF11 (0.54) KIF11ALDH1A1TSHRCYP3A4TDP1

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-5670084-A Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
EP-0708149-A1 Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed