SCHEMBL2851231

SCHEMBL2851231

O=C(NCCCCc1ccccc1)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 2/20 0.41
P2RX7 Q99572 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ASAH1 Q13510 2/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL2850598 0.94 KDM4E (0.47) MAPTKDM4EALDH1A1FAAHPOLB
SCHEMBL2854346 0.93 MAPT (0.52) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2856944 0.91 TAAR1 (0.46) MAPTKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL2856562 0.89 MAPT (0.48) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL2863154 0.88 MAPT (0.45) MAPTKDM4EALDH1A1TSHRL3MBTL1
SCHEMBL2854804 0.87 MAPK1 (0.48) MAPTRAB9AKDM4EALDH1A1P2RX7
SCHEMBL2854509 0.87 KDM4E (0.50) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2860253 0.85 PLAAT3 (0.47) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2862820 0.85 P2RX7 (0.45) MAPTKDM4ETSHRL3MBTL1P2RX7
SCHEMBL2855547 0.84 TAAR1 (0.54) MAPTNPC1RAB9AKDM4EALDH1A1

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