SCHEMBL19980137

SCHEMBL19980137

CCCNc1cc(C)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KAT2B Q92831 6/20 0.42
HCAR3 P49019 3/20 0.42
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 1/20 0.38
TRPA1 O75762 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 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
SCHEMBL20344577 0.83 HPGD (0.40) MAPTALDH1A1L3MBTL1TDP1KAT2B
SCHEMBL30046277 0.79 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1TDP1KAT2B
SCHEMBL27162953 0.79 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1TDP1KAT2B
SCHEMBL1283872 0.78 MAPT (0.46) MAPTALDH1A1L3MBTL1TDP1KAT2B
SCHEMBL2274349 0.76 TSHR (0.50) ALDH1A1L3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL18152824 0.75 MAPT (0.44) MAPTALDH1A1L3MBTL1TDP1KAT2B
SCHEMBL27209599 0.73 HCAR3 (0.40) MAPTALDH1A1L3MBTL1TDP1HCAR3
SCHEMBL3633359 0.73 HCAR3 (0.55) MAPTALDH1A1L3MBTL1TDP1KAT2B
SCHEMBL3636228 0.72 KAT2B (0.69) MAPTALDH1A1L3MBTL1TDP1KAT2B
SCHEMBL15239774 0.72 HCAR3 (0.54) MAPTALDH1A1L3MBTL1TDP1KAT2B

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-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed