SCHEMBL2861938

SCHEMBL2861938

O=C(Nc1cc(Cl)ccc1Sc1ccc(Cl)cc1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
GPR6 P46095 1/20 0.36
ACHE P22303 1/20 0.35
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.34
ORAI1 Q96D31 2/20 0.34
ALDH1A1 P00352 1/20 0.34
BLM P54132 1/20 0.34
NOD2 Q9HC29 1/20 0.34
TRPC1 P48995 1/20 0.34
TRPC3 Q13507 1/20 0.34
STIM1 Q13586 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
SCHEMBL2850809 0.84 MAPT (0.43) MAPTKMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL2854533 0.84 MEN1 (0.46) MAPTGPR6ACHEP2RX7MEN1
SCHEMBL2852244 0.81 MAPT (0.48) MAPTGPR6ACHEMEN1KMT2A
SCHEMBL2852552 0.80 MEN1 (0.51) MAPTGPR6ACHEP2RX7MEN1
SCHEMBL2856901 0.80 MAPT (0.40) MAPTGPR6ACHEP2RX7MEN1
SCHEMBL2860522 0.80 MAPT (0.48) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL2853465 0.80 RAB9A (0.44) L3MBTL1MAPTGPR6ACHENPSR1
SCHEMBL2857582 0.80 MAPT (0.42) MAPTGPR6ACHEP2RX7MEN1
SCHEMBL2858182 0.80 P2RX7 (0.44) MAPTP2RX7NPSR1NPC1RAB9A
SCHEMBL2852353 0.80 RAB9A (0.44) MAPTGPR6ACHEMEN1KMT2A

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed