SCHEMBL22201443

SCHEMBL22201443

O=c1[nH]c(-c2ccncc2)cc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 3/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TNKS O95271 4/20 0.57
MAPT P10636 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
CDC7 O00311 2/20 0.53
GAA P10253 1/20 0.50
PDE10A Q9Y233 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
PARP1 P09874 3/20 0.46
APAF1 O14727 2/20 0.46
CDC25B P30305 2/20 0.46
TDP2 O95551 1/20 0.46

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
Hydrochloric Acid SCHEMBL6648959 0.98 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ENPC1LMNA
SCHEMBL29639160 0.86 TNKS (0.63) ALDH1A1HPGDKDM4ENPC1LMNA
SCHEMBL828493 0.86 TNKS (0.63) ALDH1A1HPGDKDM4ENPC1LMNA
SCHEMBL30064139 0.83 CDC7 (0.45) ALDH1A1HPGDKDM4ENPC1LMNA
SCHEMBL24746791 0.83 CDC7 (0.45) ALDH1A1HPGDKDM4ENPC1LMNA
SCHEMBL15775130 0.81 KDM4C (0.52) ALDH1A1HPGDKDM4ENPC1LMNA
SCHEMBL4774571 0.80 TNKS (0.61) ALDH1A1HPGDKDM4ENPC1LMNA
SCHEMBL30160913 0.80 PARP1 (0.61) ALDH1A1HPGDKDM4ENPC1LMNA
SCHEMBL311943 0.80 TNKS (0.61) ALDH1A1HPGDKDM4ENPC1LMNA
SCHEMBL30161077 0.80 TNKS (0.65) ALDH1A1HPGDKDM4ENPC1LMNA

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed