SCHEMBL16744514

SCHEMBL16744514

Nc1ccc(/C(=C(/c2ccccc2)c2ccc(N)cc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.54
▸ TSHR P16473 1/20 0.53
▸ CYP3A4 P08684 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ MASP2 O00187 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAOA P21397 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44

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
SCHEMBL8906711 1.00 CYP19A1 (0.54) CYP19A1TSHRCYP3A4TDP1TAAR1
SCHEMBL11681167 1.00 CYP19A1 (0.54) CYP19A1TSHRCYP3A4TDP1TAAR1
SCHEMBL2566825 1.00 CYP19A1 (0.54) CYP19A1TSHRCYP3A4TDP1TAAR1
SCHEMBL15326126 1.00 CYP19A1 (0.54) CYP19A1TSHRCYP3A4TDP1TAAR1
SCHEMBL30275345 0.93 HSD17B10 (0.64) CYP19A1TSHRCYP3A4TDP1TAAR1
SCHEMBL28000965 0.93 HSD17B10 (0.64) CYP19A1TSHRCYP3A4TDP1TAAR1
SCHEMBL24023120 0.91 ESR1 (0.61) CYP19A1CYP3A4HSD17B10ESR1ESR2
SCHEMBL12275074 0.89 ACHE (0.56) CYP19A1TSHRCYP3A4TDP1TAAR1
SCHEMBL30884727 0.89 ACHE (0.56) CYP19A1TSHRCYP3A4TDP1TAAR1
SCHEMBL26567853 0.89 ACHE (0.56) CYP19A1TSHRCYP3A4TDP1TAAR1

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-20150148262-A1 MICROPARTICLE ASSEMBLY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2015-05-28 — — US disclosed
US-20150148262-A1 MICROPARTICLE ASSEMBLY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2015-05-28 — — US disclosed
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