SCHEMBL13297828

SCHEMBL13297828

c1ccc(C2(c3ccccc3)c3ccccc3C(c3ccccc3)(c3ccccc3)N2c2cncc(N3C(c4ccccc4)(c4ccccc4)c4ccccc4C3(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
RXFP1 Q9HBX9 1/20 0.32
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL13297803 0.85 CYP19A1 (0.42) CYP19A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL13297790 0.82 CYP19A1 (0.35) CYP19A1
SCHEMBL13297794 0.82 HTT (0.41) CYP19A1
SCHEMBL13297786 0.80 CYP19A1 (0.38) CYP19A1P2RX1P2RX3P2RX4P2RX7
SCHEMBL13297792 0.80 CYP19A1 (0.38) CYP19A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL13297795 0.79 RXFP1 (0.45) CYP19A1RXFP1
SCHEMBL13297835 0.78 CYP19A1 (0.39) CYP19A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL13297822 0.78 CYP19A1 (0.33) CYP19A1
SCHEMBL13297811 0.76 CYP19A1 (0.40) CYP19A1RXFP1
SCHEMBL13297814 0.75 HTT (0.38) CYP19A1

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-7740959-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-7740959-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-20080074040-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed