SCHEMBL10683406

SCHEMBL10683406

C=CC=C(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ APEX1 P27695 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP19A1 P11511 3/20 0.38
▸ CYP3A4 P08684 5/20 0.36
▸ HIF1A Q16665 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CA3 P07451 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CASP1 P29466 1/20 0.36

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
SCHEMBL4838747 0.76 CYP1B1 (0.46) MASP2PLAUTHPOAPEX1F2
SCHEMBL8148109 0.76 CYP1B1 (0.46) MASP2PLAUTHPOAPEX1F2
SCHEMBL1134679 0.76 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1THRB
SCHEMBL4838757 0.76 CYP1B1 (0.46) MASP2PLAUTHPOAPEX1F2
SCHEMBL57798 0.75 AKT1 (0.46) F2MAPTCYP19A1CYP3A4ALDH1A1
SCHEMBL10555014 0.73 AKT1 (0.44) CYP19A1ALDH1A1TDP1MAPK1ESR1
SCHEMBL11442993 0.73 AKT1 (0.44) MAPTMEN1KMT2ACYP19A1CYP3A4
SCHEMBL7935762 0.73 AKT1 (0.44) CYP19A1ALDH1A1TDP1MAPK1ESR1
SCHEMBL11933762 0.73 MASP2 (0.34) MASP2PLAUTHPOAPEX1F2
SCHEMBL7131616 0.72 CYP19A1 (0.48) MASP2PLAUTHPOAPEX1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4770973-A READABLE BY OPTICAL DEVICES AND FIXED BY LIGHT Kanzaki Paper Manufacturing Limited (JP) 1988-09-13 — — US disclosed
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