SCHEMBL10067982

SCHEMBL10067982

Cc1cc(-c2nc(-c3ccc(Br)c(C)c3)nc(-c3ccc(Br)c(C)c3)n2)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
TYMP P19971 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 2/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HAO1 Q9UJM8 1/20 0.35
DAPK3 O43293 1/20 0.35
CYP1A2 P05177 1/20 0.35
NQO2 P16083 1/20 0.34

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
SCHEMBL18533192 0.92 MAPT (0.49) S1PR1TYMPMAPTALDH1A1RAB9A
SCHEMBL18518742 0.90 L3MBTL1 (0.53) S1PR1MAPTALDH1A1RAB9ANPC1
SCHEMBL25404694 0.89 S1PR1 (0.42) S1PR1TYMPMAPTRAB9ANPC1
SCHEMBL31453990 0.85 L3MBTL1 (0.52) S1PR1MAPTALDH1A1RAB9ANPC1
SCHEMBL4303038 0.83 ALDH1A1 (0.55) S1PR1TYMPMAPTALDH1A1TSHR
SCHEMBL3303614 0.82 KDM4E (0.55) MAPTALDH1A1TSHRCYP3A4TDP1
SCHEMBL8684536 0.81 S1PR1 (0.44) S1PR1MAPTALDH1A1TSHRCYP3A4
SCHEMBL28918202 0.80 L3MBTL1 (0.43) S1PR1MAPTALDH1A1CYP3A4RAB9A
SCHEMBL5117600 0.79 L3MBTL1 (0.61) S1PR1MAPTTSHRRAB9ANPC1
SCHEMBL7832840 0.79 HDAC3 (0.50) S1PR1TYMPMAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130264561-A1 ELECTROACTIVE COMPOSITIONS FOR ELECTRONIC APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US disclosed
US-20130264561-A1 ELECTROACTIVE COMPOSITIONS FOR ELECTRONIC APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US disclosed
WO-2012087961-A2 ELECTROACTIVE COMPOSITIONS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed