SCHEMBL11799355

SCHEMBL11799355

CC(=O)Nc1ccc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.51
PDE5A O76074 1/20 0.43
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTR2C P28335 2/20 0.41
MCHR2 Q969V1 1/20 0.41
MCHR1 Q99705 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 2/20 0.39
SLC2A1 P11166 1/20 0.39
APOBEC3A P31941 1/20 0.39
RAD52 P43351 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL11766710 0.87 TERT (0.43) TERTNPC1KMT2AHTR2CPOLB
Hydrochloric Acid SCHEMBL11767777 0.83 KMT2A (0.44) TERTNPC1KMT2AMEN1HTR2C
Hydrochloric Acid SCHEMBL11767760 0.83 KMT2A (0.44) TERTNPC1KMT2AMEN1HTR2C
Hydrochloric Acid SCHEMBL11768663 0.82 KMT2A (0.43) TERTPDE5ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL11767147 0.81 KAT2B (0.46) TERTNPC1KMT2AMEN1POLB
SCHEMBL11769166 0.80 CHRM2 (0.48) TERTPDE5ANPC1SMN1; SMN2KMT2A
SCHEMBL11770423 0.80 RAD52 (0.63) TERTNPC1KMT2AHTR2CPOLB
SCHEMBL29628876 0.80 RAD52 (0.63) TERTNPC1KMT2AHTR2CPOLB
Hydrochloric Acid SCHEMBL11767352 0.79 ALDH1A1 (0.43) TERTNPC1KMT2AMEN1HTR2C
Hydrochloric Acid SCHEMBL10942278 0.79 RAD52 (0.62) TERTNPC1KMT2AHTR2CPOLB

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-4013665-A ANTIVIRAL, SUBSTITUTED 1,3-DIMETHYL-1H-PYRAZOLO(3,4B)QUINOLINES BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed