SCHEMBL2857550

SCHEMBL2857550

O=C(Nc1cc(C(F)(F)F)ccc1F)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.45
CCR1 P32246 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
IDH1 O75874 1/20 0.39
P2RX7 Q99572 1/20 0.38
NTRK1 P04629 1/20 0.38
GPR6 P46095 1/20 0.37
ACHE P22303 1/20 0.37
ORAI1 Q96D31 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
SCHEMBL2860522 0.92 MAPT (0.48) CCR1MAPTALDH1A1NPC1RAB9A
SCHEMBL2852820 0.91 TMPRSS4 (0.45) TMPRSS4CCR1MAPTALDH1A1NPC1
SCHEMBL2856901 0.90 MAPT (0.40) CCR1MAPTALDH1A1NPC1RAB9A
SCHEMBL2848541 0.88 RAB9A (0.43) CCR1MAPTALDH1A1NPC1RAB9A
SCHEMBL2858182 0.86 P2RX7 (0.44) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL2860822 0.86 MAPT (0.45) CCR1MAPTACHE
SCHEMBL2853182 0.86 MAPT (0.42) CCR1MAPTALDH1A1NPC1RAB9A
SCHEMBL2853065 0.85 NR3C1 (0.46) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL2852809 0.85 MAPT (0.39) TMPRSS4CCR1MAPTNPC1RAB9A
SCHEMBL2854533 0.85 MEN1 (0.46) MAPTNPC1RAB9ANPSR1MEN1

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