SCHEMBL7978699

SCHEMBL7978699

O=c1cc(-c2ccncc2)[nH]c(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 4/20 0.46
▸ TSHR P16473 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ PLD1 Q13393 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL7990353 0.83 KDM4E (0.52) RAB9AMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5386406 0.82 HSD17B10 (0.45) MAPK1ALDH1A1HSD17B10CYP2C19CYP1A2
SCHEMBL7447432 0.81 HSD17B10 (0.47) RAB9AMAPK1TSHRALDH1A1HPGD
SCHEMBL7996176 0.80 SMO (0.51) MAPTGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL7978276 0.80 HRH4 (0.49) —
SCHEMBL7989788 0.79 ALDH1A1 (0.58) MAPTGAAMAPK1TSHRALDH1A1
SCHEMBL5381026 0.79 AR (0.44) MAPTGAATSHRALDH1A1HSD17B10
SCHEMBL7978522 0.78 — —
SCHEMBL7978711 0.76 POLB (0.46) TSHRALDH1A1HSD17B10LMNAUSP2
SCHEMBL7989638 0.76 F10 (0.38) MAPTMAPK1HSD17B10CDC7

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 disclosed
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