SCHEMBL21132107

SCHEMBL21132107

CC(C)(c1cccnc1)C(C)(C)c1cncnc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.52
CYP3A4 P08684 2/20 0.49
CYP3A5 P20815 1/20 0.49
CYP2A6 P11509 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KIF11 P52732 1/20 0.44
KCNA5 P22460 1/20 0.41

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
SCHEMBL10152872 0.83 CYP19A1 (0.55) CYP19A1CYP3A4CYP2A6LMNACYP1A2
SCHEMBL29583584 0.78 KIF11 (0.61) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL74389 0.78 KIF11 (0.61) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL18595142 0.76 CYP19A1 (0.45) CYP19A1CYP3A4CYP2A6LMNACYP1A2
SCHEMBL27996644 0.76 CYP19A1 (0.57) CYP19A1CYP3A4CYP2A6LMNACYP1A2
SCHEMBL26208579 0.75 CYP19A1 (0.41) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL19031874 0.74 CYP3A4 (0.51) CYP19A1CYP3A4CYP3A5CYP2A6LMNA
SCHEMBL23059263 0.74 CYP19A1 (0.55) CYP19A1CYP3A4CYP2A6LMNACYP1A2
SCHEMBL19229667 0.74 CYP19A1 (0.55) CYP19A1CYP3A4CYP2A6LMNACYP1A2
SCHEMBL1375896 0.74 CYP19A1 (0.55) CYP19A1CYP3A4CYP3A5LMNACYP1A2

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
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed