SCHEMBL17981187

SCHEMBL17981187

Cc1ccc(C)n1C1CCC(Oc2ccc3cncc(-c4cc5ccccc5o4)c3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 12/20 0.46
▸ CHRNB1 P11230 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNB3 Q05901 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ PRKCQ Q04759 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL18024307 1.00 PRKCZ (0.46) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL18024308 0.84 PRKCZ (0.50) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL17981335 0.84 PRKCZ (0.50) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL18024342 0.84 PRKCZ (0.50) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL17981095 0.82 PRKCZ (0.62) PRKCZ
SCHEMBL17981380 0.77 PIK3CD (0.46) PRKCZCYP11B2
SCHEMBL17980981 0.71 PRKCZ (0.48) PRKCZKMT2APRKCQCCNT1CDK1
SCHEMBL18024551 0.71 KMT2A (0.39) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL17980982 0.71 KMT2A (0.39) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL19762268 0.71 KMT2A (0.43) PRKCZCHRNB1CHRNB2CHRNB4CHRNA3

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
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 — — EP disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 — — WO disclosed
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