SCHEMBL13375136

SCHEMBL13375136

O=C(Nc1c[nH]nc1-c1nc2cc(F)c(CCO)cc2[nH]1)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PRSS12 P56730 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CHEK1 O14757 1/20 0.33
KDM4E B2RXH2 3/20 0.32
RAB9A P51151 3/20 0.32
THRB P10828 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CXCR3 P49682 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KLK7 P49862 1/20 0.32
FLT3 P36888 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13375252 0.91 AURKA (0.36) KMT2AHDAC1HDAC2KDM4ERAB9A
SCHEMBL13373942 0.86 KMT2A (0.41) KMT2ACYP3A4PRSS12HRH4CHEK1
SCHEMBL13373931 0.84 SYK (0.45) KMT2ACYP3A4HRH4KDM4EALDH1A1
SCHEMBL13374043 0.83 PRSS12 (0.41) KMT2APRSS12HRH4CHEK1RAB9A
SCHEMBL13375232 0.82 PDPK1 (0.39) KMT2ACHEK1KDM4ERAB9AALDH1A1
SCHEMBL3932241 0.82 FGFR1 (0.42) KMT2AHRH4KDM4EALDH1A1MAPT
SCHEMBL3926103 0.82 OPRL1 (0.42) KMT2ACYP3A4ALDH1A1MAPTFLT3
SCHEMBL3926346 0.82 CHEK2 (0.41) KMT2AKDM4EFLT3
SCHEMBL13373939 0.82 MAPT (0.46) KMT2ACYP3A4PRSS12HRH4KDM4E
SCHEMBL13374059 0.82 KMT2A (0.39) KMT2APRSS12HRH4KDM4ERAB9A

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