SCHEMBL9505497

SCHEMBL9505497

Oc1cccc(Nc2ccc(-c3ccc(Nc4cccc(O)c4)cc3-c3ccccc3)c(-c3ccccc3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.67
TSHR P16473 1/20 0.67
SYK P43405 2/20 0.54
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
GSK3B P49841 1/20 0.50
ALOX5 P09917 2/20 0.49
FGFR1 P11362 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ABCG2 Q9UNQ0 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BRAF P15056 2/20 0.48
POLB P06746 1/20 0.47
RAD52 P43351 1/20 0.47
GFER P55789 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL18274598 0.88 CYP3A4 (0.56) CYP3A4TSHRSYKMAPTTP53
SCHEMBL6327495 0.84 CYP3A4 (0.81) CYP3A4TSHRSYKMAPTTP53
SCHEMBL34468055 0.82 CYP3A4 (0.66) CYP3A4TSHRSYKMAPTTP53
SCHEMBL16947038 0.81 ALDH1A1 (0.56) CYP3A4TSHRMAPTKMT2AMEN1
SCHEMBL29678179 0.81 CYP3A4 (1.00) CYP3A4TSHRSYKMAPTTP53
SCHEMBL219995 0.81 CYP3A4 (1.00) CYP3A4TSHRSYKMAPTTP53
SCHEMBL18201524 0.80 ALDH1A1 (0.50) CYP3A4TSHRSYKMAPTKMT2A
SCHEMBL29406240 0.80 ALDH1A1 (0.54) CYP3A4TSHRMAPTKMT2AMEN1
SCHEMBL26604601 0.80 ALDH1A1 (0.54) CYP3A4TSHRMAPTKMT2AMEN1
SCHEMBL1727357 0.79 CYP3A4 (0.57) CYP3A4TSHRSYKMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295126-B1 ARYLAMINE-CONTAINING POLYHYDROXY ETHER RESINS XEROX CORPORATION (US) 1993-08-04 EP disclosed
EP-0295127-B1 ARYLAMINE POLYMERS XEROX CORPORATION (US) 1993-08-04 EP disclosed
EP-0295125-B1 POLYARYLAMINE COMPOUNDS XEROX CORPORATION (US) 1993-08-04 EP disclosed
US-4935487-A Carbonate-arylamine polymer XEROX CORPORATION (US) 1990-06-19 US disclosed
US-4806444-A Arylamine polymers and systems utilizing arylamine polymers XEROX CORPORATION (US) 1989-02-21 US disclosed
US-4806443-A Polyarylamine compounds and systems utilizing polyarylamine compounds XEROX CORPORATION (US) 1989-02-21 US disclosed
EP-0295125-A2 Polyarylamine compounds XEROX CORPORATION (US) 1988-12-14 EP disclosed
EP-0295126-A2 Arylamine-containing polyhydroxy ether resins XEROX CORPORATION (US) 1988-12-14 EP disclosed
EP-0295127-A2 Arylamine polymers XEROX CORPORATION (US) 1988-12-14 EP disclosed