SCHEMBL14905660

SCHEMBL14905660

CCc1nn(-c2cc(F)cc(F)c2)cc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
NR4A2 P43354 1/20 0.38
BRD4 O60885 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL14905654 0.85 GABRP (0.36) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL720074 0.82 MAPT (0.45) MAPTCA12CA1CA2CA9
SCHEMBL12265096 0.81 MAPT (0.64) MAPTCA12CA1CA2CA9
SCHEMBL720432 0.78 L3MBTL1 (0.58) MAPTCA12CA1CA2CA9
SCHEMBL717912 0.78 MAPT (0.45) MAPTCA12CA1CA2CA9
SCHEMBL718881 0.78 KMT2A (0.52) MAPTCA12CA1CA2CA9
SCHEMBL721473 0.77 DGAT1 (0.50) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL27946270 0.76 P2RX7 (0.37)
SCHEMBL27834203 0.74 MAPT (0.46) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL14905703 0.71 POLB (0.40) ALDH1A1KMT2AMEN1RAB9ALMNA

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-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed