SCHEMBL19311745

SCHEMBL19311745

C/C=C(\C=C(/NC)c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)ccn2)c1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 2/20 0.36
▸ ADORA1 P30542 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ ASIC3 Q9UHC3 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ PIP5K1C O60331 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ LTB4R Q15722 2/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32

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
SCHEMBL21729275 0.82 SMO (0.33) SMOADORA1ADORA3ADORA2BCYP19A1
SCHEMBL17932831 0.77 CYP19A1 (0.53) SMOADORA1ADORA3ADORA2BCYP19A1
SCHEMBL25454434 0.73 PLAU (0.32) SMOTGFBR1GABRG2GABRB3GABRA5
SCHEMBL19037259 0.73 TGFBR1 (0.49) SMOCYP19A1TGFBR1ASIC3TDP1
SCHEMBL25680613 0.71 MEN1 (0.47) SMOADORA1CYP19A1ASIC3GABRG2
SCHEMBL25583006 0.71 ASIC3 (0.53) SMOCYP19A1TGFBR1ASIC3CNR1
SCHEMBL24398187 0.70 TGFBR1 (0.51) CYP19A1TGFBR1ASIC3TDP1MEN1
SCHEMBL18327370 0.68 ASIC3 (0.44) SMOADORA1CYP19A1TGFBR1ASIC3
SCHEMBL12408985 0.68 ASIC3 (0.53) SMOTGFBR1ASIC3
SCHEMBL28116354 0.68 ASIC3 (0.53) SMOTGFBR1ASIC3

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
EP-3214153-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-09-06 — — EP disclosed
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