SCHEMBL5332174

SCHEMBL5332174

O=c1c(-c2ccccc2)c(O)c2ccccc2n1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
KDM4E B2RXH2 10/20 0.65
RCE1 Q9Y256 1/20 0.65
GAA P10253 1/20 0.60
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.55
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.43
RECQL P46063 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HPGD P15428 2/20 0.40
CASP6 P55212 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL28322929 0.78 AGTR1 (0.50) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL3930136 0.75 HSD17B10 (0.47) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL5315589 0.73 KDM4E (0.64) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL15618087 0.73 KMT2A (0.68) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL7735156 0.70 KDM4E (0.74) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL5382294 0.69 MAPT (0.53) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL3396642 0.67 ALDH1A1 (0.37) LMNASMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL11959493 0.66 GPR3 (0.55) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL29287390 0.66 HSD17B10 (0.65) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL20429106 0.65 MAPT (0.50) KMT2ALMNASMN1; SMN2KDM4ERCE1

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
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed