SCHEMBL16344091

SCHEMBL16344091

Cc1cccc(N(c2ccc(-c3ccc(-c4ccc(N(c5cccc(C)c5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.43
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MAPT P10636 2/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
CYP51A1 Q16850 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL8363571 1.00 SIGMAR1 (0.43) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL18069063 1.00 SIGMAR1 (0.43) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL13809112 0.98 SIGMAR1 (0.42) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL14018316 0.97 SIGMAR1 (0.41) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL10053548 0.97 SIGMAR1 (0.41) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL4579204 0.97 SIGMAR1 (0.41) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL1813433 0.97 SIGMAR1 (0.41) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL18780369 0.97 SIGMAR1 (0.41) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL14672919 0.95 SIGMAR1 (0.42) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL12757486 0.94 HSD17B1 (0.43) SIGMAR1CYP1A2CYP2A6HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9748493-B2 Aromatic amine-terphenyl compounds and use thereof in organic semiconducting components NOVALED GMBH (DE) 2017-08-29 US disclosed
US-9748493-B2 Aromatic amine-terphenyl compounds and use thereof in organic semiconducting components NOVALED GMBH (DE) 2017-08-29 US disclosed
US-9748493-B2 Aromatic amine-terphenyl compounds and use thereof in organic semiconducting components NOVALED GMBH (DE) 2017-08-29 US disclosed
US-20150011795-A1 Aromatic Amine-Terphenyl Compounds and Use Thereof in Organic Semiconducting Components NOVALED GMBH (DE) 2015-01-08 US disclosed
US-20150011795-A1 Aromatic Amine-Terphenyl Compounds and Use Thereof in Organic Semiconducting Components NOVALED GMBH (DE) 2015-01-08 US disclosed
US-20150011795-A1 Aromatic Amine-Terphenyl Compounds and Use Thereof in Organic Semiconducting Components NOVALED GMBH (DE) 2015-01-08 US disclosed