SCHEMBL19618529

SCHEMBL19618529

c1ccc(-n2c3ccccc3c3cc(-c4ccc5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc(-c7cccnc7)nc6)c5c4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
CYP2C9 P11712 4/20 0.40
MAPT P10636 2/20 0.40
CYP11B1 P15538 2/20 0.39
PIK3CA P42336 1/20 0.39
MCL1 Q07820 2/20 0.39
PTGES O14684 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP19A1 P11511 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KMT2A Q03164 1/20 0.38
MTOR P42345 1/20 0.38
CYP11B2 P19099 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL19618549 0.90 KDM4E (0.44) DHODHCYP2C9MAPTPIK3CAPTGES
SCHEMBL19618540 0.90 DHODH (0.47) DHODHCYP2C9MAPTCYP11B1PIK3CA
SCHEMBL19618537 0.89 DHODH (0.43) DHODHCYP2C9MAPTCYP11B1PIK3CA
SCHEMBL19618545 0.87 DHODH (0.41) DHODHCYP2C9PIK3CAPTGESRXFP1
SCHEMBL9973737 0.85 CYP2A6 (0.44) DHODHCYP2C9CYP11B1PIK3CAALDH1A1
SCHEMBL9973728 0.85 CYP2A6 (0.44) DHODHCYP2C9CYP11B1PIK3CAALDH1A1
SCHEMBL19618555 0.85 PIK3CA (0.41) PIK3CAPTGESMTORHDAC6PTGER4
SCHEMBL19618557 0.85 MTOR (0.38) MAPTPIK3CAPTGESALDH1A1RXFP1
SCHEMBL19618550 0.84 ACVR1 (0.42) PIK3CAPTGESMTORPTGER4
SCHEMBL19618543 0.84 PTGES (0.42) DHODHMAPTPIK3CAPTGESALDH1A1

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-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed