SCHEMBL11318

SCHEMBL11318

CCNC(=O)Oc1cc2ccc(F)c(C)c2nc1N1CCN(C(=O)C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
OPRK1 P41145 8/20 0.36
P2RY12 Q9H244 2/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL14481494 0.75 TP53 (0.44) TP53MAPTALDH1A1HTTNPC1
SCHEMBL14481493 0.75 TP53 (0.44) TP53MAPTALDH1A1HTTNPC1
SCHEMBL9733 0.75 MEN1 (0.37) MAPTNPC1RAB9AKDM4E
SCHEMBL14481349 0.75 MAPT (0.42) TP53MAPTALDH1A1HTTNPC1
Hydrochloric Acid SCHEMBL2113716 0.74 TP53 (0.44) TP53MAPTALDH1A1HTTNPC1
Hydrochloric Acid SCHEMBL715476 0.74 TP53 (0.44) TP53MAPTALDH1A1HTTNPC1
SCHEMBL716483 0.70 MAPT (0.38) TP53MAPTALDH1A1HTTNPC1
SCHEMBL716484 0.70 MAPT (0.38) TP53MAPTALDH1A1HTTNPC1
SCHEMBL11850 0.69 MEN1 (0.42) MAPTALDH1A1KDM4E
SCHEMBL1726583 0.69 SMN1; SMN2 (0.39) MAPTALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
WO-2011058108-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed