SCHEMBL2854815

SCHEMBL2854815

Cc1c(OC(=O)Nc2ccccc2Cl)cnn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 10/20 0.49
NPC1 O15118 8/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.47
NR3C1 P04150 1/20 0.47
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHB3 P54753 1/20 0.43

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
SCHEMBL2852417 0.90 MAPT (0.49) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL2854348 0.84 RAB9A (0.54) RAB9ANPC1PKMMAPK1ALDH1A1
SCHEMBL2848335 0.83 ATM (0.54) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL2860824 0.83 LMNA (0.57) MEN1KMT2ARAB9APKMMAPK1
SCHEMBL2860786 0.83 MAPT (0.49) MEN1KMT2AKDM4ENR3C1ALDH1A1
SCHEMBL2857897 0.83 MAPT (0.47) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL2854465 0.82 RAB9A (0.47) RAB9ANPC1PKMMAPK1ALDH1A1
SCHEMBL2853257 0.81 MAPT (0.53) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL2858097 0.81 P2RX7 (0.53) RAB9ANPC1LMNAMAPT
SCHEMBL2854574 0.80 HSP90AA1 (0.51) MEN1KMT2ARAB9ANPC1PKM

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