SCHEMBL7545259

SCHEMBL7545259

O=C1N=CC(c2ccncc2)=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
LMNA P02545 2/20 0.43
NOTUM Q6P988 1/20 0.37
TP53 P04637 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
MAPK14 Q16539 1/20 0.33
CTSD P07339 1/20 0.33
PKM P14618 1/20 0.33
DDAH1 O94760 1/20 0.33
NOS1 P29475 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL15467777 0.78 CYP2D6 (0.36) MAPTLMNANOTUMALDH1A1HSD17B10
SCHEMBL8619760 0.78 ALDH1A1 (0.36) MAPTLMNANOTUMSMN1; SMN2ALDH1A1
SCHEMBL8618657 0.78 MAPK14 (0.39) MAPTNOTUMMAPK14ALDH1A1NPC1
SCHEMBL5477527 0.73 MAPT (0.43) MAPTLMNANOTUMTP53CTSD
SCHEMBL1498571 0.67 KDM4E (0.48) MAPTLMNATP53PKMSMN1; SMN2
SCHEMBL9728 0.64 MAPT (1.00) MAPTLMNANOTUMTP53CTSD
SCHEMBL24625411 0.62 MAPT (0.56) MAPTLMNANOTUMTP53PDE3B
SCHEMBL9120813 0.61 MAPT (0.92) MAPTLMNANOTUMTP53CTSD
Hydrochloric Acid SCHEMBL5548691 0.61 MAPT (0.92) MAPTLMNANOTUMTP53CTSD
SCHEMBL135626 0.61 MAPT (0.92) MAPTLMNANOTUMTP53PDE3B

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-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed