SCHEMBL15926331

SCHEMBL15926331

c1ccc(N(c2ccc(-c3ccc(-c4ccc5[nH]c6ccccc6c5c4)cc3)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
AHR P35869 1/20 0.40
KIF11 P52732 6/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GPR3 P46089 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
HTR2B P41595 1/20 0.35
HTR5A P47898 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL15926345 1.00 CDK4 (0.41) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL31624061 1.00 CDK4 (0.41) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL14564921 0.91 AHR (0.43) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL10276821 0.89 AHR (0.42) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL18251679 0.88 ALDH1A1 (0.41) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL31663617 0.86 AHR (0.50) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL263271 0.86 AHR (0.50) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL15685609 0.86 AHR (0.50) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL263173 0.86 ALK (0.41) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL12781569 0.85 ESR1 (0.46) CDK4CCND1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9634255-B2 Aromatic amine derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-25 US disclosed
US-9634255-B2 Aromatic amine derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-25 US disclosed
US-20140374720-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-25 US disclosed
US-20140374720-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-25 US disclosed
EP-2762478-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd (JP) 2014-08-06 EP disclosed