SCHEMBL28321641

SCHEMBL28321641

Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1c[nH]nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ F2RL3 Q96RI0 1/20 0.35

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
SCHEMBL28321704 0.85 ALDH1A1 (0.47) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL28321639 0.77 IDO1 (0.44) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL5612882 0.75 KIF11 (0.45) F2RL3NISCH
SCHEMBL96684 0.75 RARA (0.61) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL28320512 0.74 NPC1 (0.40) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL16399216 0.73 NPC1 (0.42) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL9629255 0.73 KDM4E (0.59) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL8919336 0.73 NPC1 (0.57) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL16399089 0.72 NPC1 (0.39) MAPTKDM4EMEN1HSP90AA1CRHBP
Hydrochloric Acid SCHEMBL5017253 0.71 NPC1 (0.56) MAPTKDM4EMEN1HSP90AA1CRHBP

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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN claimed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
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