SCHEMBL7996176

SCHEMBL7996176

O=c1cc(-c2ccncc2)[nH]c(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.51
▸ PARP1 P09874 1/20 0.49
▸ HTT P42858 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ABL1 P00519 1/20 0.42

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
SCHEMBL7978699 0.80 MAPT (0.52) HTTKDM4EKMT2ALMNAMEN1
SCHEMBL7978522 0.77 — —
SCHEMBL5386406 0.77 HSD17B10 (0.45) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL7447432 0.76 HSD17B10 (0.47) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7990353 0.75 KDM4E (0.52) HTTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL5381026 0.74 AR (0.44) HTTKMT2ALMNAMEN1ALDH1A1
SCHEMBL7956433 0.73 MAPT (0.64) SMOHTTL3MBTL1KDM4EKMT2A
SCHEMBL4105526 0.72 DGAT1 (0.62) PARP1
SCHEMBL7978276 0.70 HRH4 (0.49) —
SCHEMBL28033559 0.70 PARP1 (0.63) PARP1

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-2001070728-A1 2-[NITROGEN-HETEROCYCLIC]PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 — — WO claimed
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