SCHEMBL27836624

SCHEMBL27836624

CC(C)(C)c1ccc(-c2cnc(-c3cc[c]cc3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 7/20 0.52
TRPV1 Q8NER1 1/20 0.51
NPY5R Q15761 5/20 0.49
HPGDS O60760 3/20 0.41
HDAC6 Q9UBN7 1/20 0.40
DGAT1 O75907 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
NQO2 P16083 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
SCHEMBL11515707 0.85 SCN2A (0.64) SCN2ATRPV1NPY5RHPGDS
SCHEMBL27910103 0.80 SCN2A (0.58) SCN2ATRPV1NPY5RHPGDS
SCHEMBL27978980 0.80 SCN2A (0.57) SCN2ATRPV1NPY5RHPGDS
SCHEMBL27817123 0.79 SCN2A (0.79) SCN2ANPY5RHPGDSNQO2
SCHEMBL27875217 0.78 SCN2A (0.48) SCN2ATRPV1NPY5RHPGDSDGAT1
SCHEMBL67105 0.74 KIF11 (0.56) DGAT1
SCHEMBL445400 0.74 KIF11 (0.56) DGAT1
SCHEMBL416362 0.74 HDAC6 (0.46) SCN2ATRPV1HDAC6DGAT1TNKS
SCHEMBL417389 0.74 CYP2A6 (0.50) SCN2ATRPV1HDAC6DGAT1TNKS
SCHEMBL5949923 0.74 SCN10A (0.54) SCN2ATRPV1TNKSPARP1TNKS2

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
CN-102144313-B Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2014-07-30 CN disclosed
CN-102144313-A Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2011-08-03 CN disclosed