SCHEMBL19447878

SCHEMBL19447878

C1=Cc2cnccc2Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.46
▸ CYP11B1 P15538 4/20 0.46
▸ TRPA1 O75762 1/20 0.41
▸ CYP19A1 P11511 7/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ TNF P01375 2/20 0.33
▸ EED O75530 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ CDK1 P06493 1/20 0.32

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
SCHEMBL11760855 0.88 CYP11B2 (0.46) CYP11B2CYP11B1TRPA1CYP19A1SIGMAR1
SCHEMBL24592357 0.88 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1SIGMAR1CHRNB2
SCHEMBL13859951 0.80 CYP11B1 (0.37) CYP11B2CYP11B1CYP19A1SIGMAR1CHRNB2
SCHEMBL283346 0.80 TRPA1 (0.50) CYP11B2CYP11B1TRPA1PARP1CA1
SCHEMBL31586332 0.80 TRPA1 (0.50) CYP11B2CYP11B1TRPA1PARP1CA1
SCHEMBL29395256 0.76 SIGMAR1 (0.42) CYP11B2CYP11B1CYP19A1SIGMAR1CHRNB2
SCHEMBL5333364 0.76 SIGMAR1 (0.42) CYP11B2CYP11B1CYP19A1SIGMAR1CHRNB2
SCHEMBL24592280 0.76 CYP11B2 (0.49) CYP11B2CYP11B1CYP19A1SIGMAR1CHRNB2
SCHEMBL11681566 0.76 CYP11B2 (0.37) CYP11B2CYP11B1TRPA1CYP19A1TNF
Hydrochloric Acid SCHEMBL5740537 0.74 SIGMAR1 (0.41) CYP11B2CYP11B1SIGMAR1CHRNB2CHRNA4

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-11678498-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-13 — — US disclosed
US-20170294613-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-12 — — US disclosed
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