SCHEMBL22702433

SCHEMBL22702433

CCOC(=O)C(C)(c1ccc(C)cc1)C(C#N)C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.42
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL18982613 0.89 ALDH1A1 (0.41) CNR2MEN1KMT2AMAPTNPSR1
SCHEMBL18982556 0.89 CNR2 (0.44) CNR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL17318022 0.89 MAPT (0.42) CNR2MEN1KMT2AMAPTNPSR1
SCHEMBL16796000 0.89 ABCB11 (0.50) CNR2MEN1KMT2AMAPTRAB9A
SCHEMBL16807989 0.89 CNR2 (0.36) CNR2MEN1KMT2AABCB11CYP1A2
SCHEMBL18982849 0.82 MAPT (0.40) CNR2MAPTPPARASMN1; SMN2ALDH1A1
SCHEMBL18982146 0.82 CYP1A2 (0.42) KMT2ANPSR1CYP1A2CYP3A4GAA
SCHEMBL18982653 0.81 CYP4F2 (0.43) CNR2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL19006603 0.80 MAPT (0.41) CNR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19006415 0.80 CA12 (0.44) MAPTNPSR1CYP1A2CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079700-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-11-25 — — EP disclosed
Send feedback