SCHEMBL21132502

SCHEMBL21132502

Cc1cc(N2CCc3cc(F)ccc3C2)c(F)c(C)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.50
▸ MAPT P10636 10/20 0.42
▸ LMNA P02545 4/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KCNQ2 O43526 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ EED O75530 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAOB P27338 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ ASIC3 Q9UHC3 1/20 0.34

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
SCHEMBL21051207 0.85 RAB9A (0.47) RAB9AMAPTLMNANPSR1KCNQ2
SCHEMBL25248236 0.84 RAB9A (0.45) RAB9AMAPTLMNANPSR1KCNQ2
SCHEMBL30487460 0.84 RAB9A (0.45) RAB9AMAPTLMNANPSR1KCNQ2
SCHEMBL25245792 0.82 RAB9A (0.50) RAB9AMAPTLMNANPSR1KCNQ2
SCHEMBL31020017 0.82 RAB9A (0.53) RAB9AMAPTLMNANPSR1KCNQ2
SCHEMBL25244695 0.81 KCNQ2 (0.53) RAB9AMAPTLMNANPSR1KCNQ2
SCHEMBL25245357 0.79 KCNQ2 (0.50) RAB9AMAPTLMNANPSR1KCNQ2
SCHEMBL30487362 0.79 KCNQ2 (0.50) RAB9AMAPTLMNANPSR1KCNQ2
SCHEMBL31546537 0.79 KCNQ2 (0.50) RAB9AMAPTLMNANPSR1KCNQ2
SCHEMBL21051227 0.78 RAB9A (0.47) RAB9AMAPTLMNANPSR1KCNQ2

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-2019118657-A1 FLUORINATED 4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES SCIFLUOR LIFE SCIENCES, INC. (US) 2019-06-20 — — WO disclosed
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