SCHEMBL3792415

SCHEMBL3792415

O=C(O)Nc1nc2c(F)cc(F)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.70
▸ NPC1 O15118 8/20 0.70
▸ MAPT P10636 6/20 0.62
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ LMNA P02545 3/20 0.62
▸ HTT P42858 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ PKM P14618 2/20 0.62
▸ AGTR1 P30556 1/20 0.62
▸ OPRK1 P41145 1/20 0.62
▸ GAA P10253 4/20 0.60
▸ TP53 P04637 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TNF P01375 2/20 0.55
▸ NOD2 Q9HC29 2/20 0.55
▸ NOD1 Q9Y239 2/20 0.55
▸ CRHBP P24387 1/20 0.55

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
SCHEMBL3044982 0.86 RAB9A (0.68) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3049281 0.83 LMNA (0.77) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL31504583 0.82 RAB9A (0.64) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL21589413 0.82 NPC1 (0.65) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL27004512 0.82 RAB9A (0.64) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL4921505 0.81 NPC1 (0.62) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL14808362 0.81 RAB9A (0.65) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL24071962 0.79 RAB9A (0.88) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL30944350 0.79 RAB9A (0.88) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL30944411 0.79 RAB9A (0.88) RAB9ANPC1MAPTMEN1KMT2A

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
WO-2010103381-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES AS TRPM 8 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-16 — — WO disclosed
Send feedback