SCHEMBL2856901

SCHEMBL2856901

O=C(Nc1ccc(C(F)(F)F)cc1Cl)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
CCR1 P32246 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
IDH1 O75874 1/20 0.39
PLCG1 P19174 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NTRK1 P04629 1/20 0.38
ACHE P22303 1/20 0.38
GPR6 P46095 1/20 0.37

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
SCHEMBL2854533 0.93 MEN1 (0.46) MAPTNPSR1NPC1RAB9APLCG1
SCHEMBL2860522 0.92 MAPT (0.48) MAPTCCR1NPSR1NPC1RAB9A
SCHEMBL2857550 0.90 TMPRSS4 (0.45) MAPTCCR1NPSR1NPC1RAB9A
SCHEMBL2852820 0.89 TMPRSS4 (0.45) MAPTCCR1NPSR1NPC1RAB9A
SCHEMBL2852552 0.87 MEN1 (0.51) MAPTNPSR1NPC1RAB9AALDH1A1
SCHEMBL2853065 0.85 NR3C1 (0.46) MAPTNPSR1NPC1RAB9AALDH1A1
SCHEMBL2852924 0.85 SMN1; SMN2 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2857582 0.84 MAPT (0.42) MAPTCCR1NPSR1NPC1RAB9A
SCHEMBL2854221 0.84 MAPT (0.51) MAPTCCR1NPSR1ALDH1A1LMNA
SCHEMBL2853465 0.84 RAB9A (0.44) MAPTCCR1NPSR1NPC1RAB9A

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