SCHEMBL30409376

SCHEMBL30409376

COc1ccc(CNc2nc(F)nc3c2ncn3C2CCCO2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ YTHDC1 Q96MU7 1/20 0.44
▸ PDE8B O95263 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ CTSL P07711 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ PI4KA P42356 1/20 0.38

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
SCHEMBL30411697 0.97 NPC1 (0.49) NPC1RAB9ASMN1; SMN2YTHDC1PDE8B
SCHEMBL30410760 0.95 TDP1 (0.42) NPC1RAB9ASMN1; SMN2YTHDC1PDE8B
SCHEMBL30411235 0.90 PDE8B (0.53) NPC1RAB9ASMN1; SMN2YTHDC1PDE8B
SCHEMBL30409865 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2YTHDC1PDE8B
SCHEMBL30411013 0.85 PDE8B (0.49) NPC1RAB9ASMN1; SMN2YTHDC1PDE8B
SCHEMBL30411208 0.84 TDP1 (0.44) NPC1RAB9ASMN1; SMN2YTHDC1TDP1
SCHEMBL30409475 0.84 TDP1 (0.59) NPC1RAB9ASMN1; SMN2TDP1FLT3
SCHEMBL30409521 0.82 ADORA3 (0.52) NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2
SCHEMBL30410695 0.82 NPC1 (0.48) NPC1RAB9ASMN1; SMN2YTHDC1TDP1
SCHEMBL30410701 0.81 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2YTHDC1PDE8B

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-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 — — EP disclosed
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