SCHEMBL254330

SCHEMBL254330

CC1CN(c2ccc(C(=O)NCc3cnc(-c4ccnc(C(F)(F)F)c4)c(F)c3)cn2)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.47
WNT3A P56704 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CHRM4 P08173 1/20 0.41
CXCR3 P49682 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
SCHEMBL252826 0.86 CHRM4 (0.48) WNT3AMAPK1CHRM4
SCHEMBL248940 0.85 WNT3A (0.48) WNT3AKDM4EALDH1A1MAPK1RAB9A
SCHEMBL254331 0.84 HPGD (0.42) HDAC1WNT3ASMN1; SMN2
SCHEMBL1912418 0.83 HPGDS (0.45) HDAC1HDAC2HDAC3
SCHEMBL14817880 0.82 TBK1 (0.47) HDAC1WNT3ASMN1; SMN2
SCHEMBL246113 0.71 WNT3A (0.57) WNT3A
SCHEMBL252827 0.70 WNT3A (0.50) WNT3A
SCHEMBL10257461 0.69 HDAC2 (0.44) HDAC1WNT3AHDAC2HDAC3
SCHEMBL10256705 0.69 WNT3A (0.48) WNT3ASMN1; SMN2
SCHEMBL247860 0.68 WNT3A (0.55) WNT3A

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-2588453-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2013-05-08 EP disclosed
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2012-01-05 WO disclosed