SCHEMBL18324218

SCHEMBL18324218

CCc1ccn(CC(F)(F)F)c(=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGER3 P43115 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALPI P09923 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL18951893 0.83 PIK3CD (0.40) GRIA2GRIN2AMGLLMAPTALDH1A1
SCHEMBL13975261 0.79 DRD2 (0.39) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL591171 0.75 MEN1 (0.36) MEN1KMT2APDE10ACYP3A4CYP2C9
SCHEMBL22559358 0.75 MEN1 (0.36) MEN1KMT2APDE10ACYP3A4CYP2C9
SCHEMBL7952618 0.75 SMN1; SMN2 (0.42) MEN1KMT2APDE10AALDH1A1MAPK1
SCHEMBL18087421 0.75 MGLL (0.35) PTGER3MGLLMAPTALDH1A1MAPK1
SCHEMBL18468618 0.75 CYP3A4 (0.37) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL21146530 0.74 HDAC4 (0.39) MEN1KMT2APDE10AALDH1A1CYP3A4
SCHEMBL15473327 0.74 PTGDR2 (0.43) KMT2AMGLLMAPTALDH1A1NPC1
SCHEMBL25743029 0.74 PSMB5 (0.37) GRIA2GRIN2AMGLLMAPTALDH1A1

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-2712358-B1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2016-12-21 — — EP disclosed
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