SCHEMBL15977658

SCHEMBL15977658

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6ccnc7ccccc67)cc5)ccc34)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.50
ACVR1 Q04771 7/20 0.48
CYP1A2 P05177 1/20 0.43
BMP4 P12644 2/20 0.41
HTR2B P41595 2/20 0.40
HTR5A P47898 1/20 0.40
ERN1 O75460 1/20 0.40
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
AKT1 P31749 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL15977435 0.95 ACVR1 (0.50) PIK3CAACVR1CYP1A2BMP4HTR2B
SCHEMBL17320768 0.88 ACVR1 (0.46) PIK3CAACVR1CYP1A2BMP4HTR2B
SCHEMBL24662791 0.88 CYP1A2 (0.48) ACVR1CYP1A2BMP4HTR2BHTR5A
SCHEMBL15977496 0.86 PIK3CA (0.62) PIK3CAACVR1BMP4HTR2BAURKA
SCHEMBL17805239 0.86 ACVR1 (0.41) PIK3CAACVR1HTR2BAAK1AKT1
SCHEMBL15977614 0.86 ACVR1 (0.45) ACVR1CYP1A2BMP4ERN1AURKA
SCHEMBL18594102 0.84 ACVR1 (0.55) PIK3CAACVR1CYP1A2HTR2BHTR5A
SCHEMBL15977660 0.84 ERN1 (0.36) PIK3CAACVR1HTR2BHTR5AERN1
SCHEMBL12578737 0.83 NPC1 (0.43) PIK3CAHTR2BHTR5AERN1KDM4E
SCHEMBL12578239 0.83 NPC1 (0.43) PIK3CAHTR2BHTR5AERN1KDM4E

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