SCHEMBL13375188

SCHEMBL13375188

O=C(Nc1cn(C2CCCCO2)nc1-c1nc2cc(F)c(CCO)cc2[nH]1)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
CNR2 P34972 1/20 0.30
CYP3A4 P08684 1/20 0.30
AURKA O14965 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CDK2 P24941 1/20 0.30
AURKB Q96GD4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL13375182 0.95 ABL1 (0.34) ABL1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL13375327 0.89 ABL1 (0.37) ABL1SMN1; SMN2KMT2ATP53MAPT
SCHEMBL13375196 0.87 ABL1 (0.37) ABL1SMN1; SMN2KMT2ATP53MAPT
SCHEMBL13374026 0.86 HSD17B10 (0.39) ABL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13375199 0.86 SYK (0.39) ABL1
SCHEMBL3930653 0.85 ABL1 (0.36) ABL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3924807 0.84 ATR (0.34) ABL1SMN1; SMN2MEN1KMT2AAURKA
SCHEMBL3926400 0.83 PDE7A (0.36) ABL1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18833302 0.83 ABL1 (0.34) ABL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13737034 0.83 ABL1 (0.34) ABL1SMN1; SMN2MEN1KMT2ALMNA

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed