SCHEMBL11749815

SCHEMBL11749815

CNc1nc(C)nc(NC(C)C)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.44
▸ LMNA P02545 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ GLP1R P43220 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ KMT2A Q03164 6/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KCNH3 Q9ULD8 1/20 0.34
▸ GABBR2 O75899 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GABBR1 Q9UBS5 1/20 0.34
▸ HTT P42858 2/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL12064867 0.85 DPP4 (0.43) DPP4LMNAPOLBGALR2GLP1R
SCHEMBL11860427 0.83 KMT2A (0.54) DPP4LMNAPOLBGALR2GLP1R
SCHEMBL11751270 0.83 MEN1 (0.44) DPP4POLBGLP1RMAPTKMT2A
SCHEMBL11748160 0.82 DPP4 (0.43) DPP4LMNAPOLBGLP1RMAPT
SCHEMBL11749510 0.79 DPP4 (0.48) DPP4LMNAGLP1RMAPTKMT2A
SCHEMBL11753027 0.77 DPP4 (0.47) DPP4LMNAPOLBGLP1RMAPT
SCHEMBL11855381 0.75 MEN1 (0.59) DPP4LMNAPOLBGLP1RKMT2A
SCHEMBL11750552 0.75 SMN1; SMN2 (0.48) DPP4LMNAGLP1RMAPTKMT2A
SCHEMBL12064766 0.72 DPP4 (0.43) DPP4LMNAPOLBGLP1RMAPT
SCHEMBL11854675 0.70 DPP4 (0.44) DPP4LMNAPOLBGLP1RMAPT

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
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