SCHEMBL15977435

SCHEMBL15977435

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccnc6ccccc56)ccc34)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 9/20 0.50
ERN1 O75460 1/20 0.44
CYP1A2 P05177 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
PIK3CA P42336 1/20 0.43
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
CAMKK1 Q8N5S9 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
MET P08581 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BMP4 P12644 1/20 0.40

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
SCHEMBL15977658 0.95 PIK3CA (0.50) ACVR1ERN1CYP1A2AAK1PIK3CA
SCHEMBL15977614 0.91 ACVR1 (0.45) ACVR1ERN1CYP1A2AAK1AURKA
SCHEMBL17320768 0.90 ACVR1 (0.46) ACVR1ERN1CYP1A2AAK1PIK3CA
SCHEMBL24662791 0.90 CYP1A2 (0.48) ACVR1CYP1A2AAK1AURKATTK
SCHEMBL18594102 0.90 ACVR1 (0.55) ACVR1ERN1CYP1A2AAK1PIK3CA
SCHEMBL13556999 0.85 ACVR1 (0.55) ACVR1CYP1A2PIK3CAAURKATTK
SCHEMBL10300874 0.85 ACVR1 (0.55) ACVR1CYP1A2PIK3CAAURKATTK
SCHEMBL10300882 0.85 ACVR1 (0.55) ACVR1CYP1A2PIK3CAAURKATTK
SCHEMBL17320760 0.84 CYP1A2 (0.43) ACVR1CYP1A2AAK1AURKATTK
SCHEMBL17805239 0.83 ACVR1 (0.41) ACVR1AAK1PIK3CAMETNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed