SCHEMBL11748432

SCHEMBL11748432

CCNc1nc(C(C)C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.43
TLR7 Q9NYK1 1/20 0.38
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.34
DPP4 P27487 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PDE10A Q9Y233 1/20 0.31
GLP1R P43220 1/20 0.30
PKM P14618 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
SCHEMBL11677248 0.83 ATM (0.34) PGK1TLR7ATMPOLBDPP4
SCHEMBL11674497 0.81 POLB (0.35) POLBTDP1MAPTSMN1; SMN2NPC1
SCHEMBL11751563 0.80 PGK1 (0.46) PGK1TLR7ATMPOLBGAA
SCHEMBL11675190 0.79 PGK1 (0.48) PGK1TLR7ATMGAATDP1
SCHEMBL11676388 0.77 TLR7 (0.47) PGK1TLR7GAATDP1MAPT
SCHEMBL11749770 0.76 PGK1 (0.50) PGK1TLR7ATMGAATDP1
SCHEMBL11676597 0.75 PGK1 (0.42) PGK1TLR7ATMGAATDP1
SCHEMBL11861851 0.74 POLB (0.33) POLB
SCHEMBL3054833 0.71 PGK1 (0.41) PGK1TLR7POLBGAAMAPT
SCHEMBL11750054 0.71 PGK1 (0.44) PGK1ATMPOLBGAATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4055411-A 5-NITRO-PYRIMIDINES CIBA-GEIGY CORPORATION (US) 1977-10-25 US disclosed
US-3948914-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1976-04-06 US disclosed