SCHEMBL3043878

SCHEMBL3043878

NC1(C(=O)O)N=CN=N1.O=C(Nc1nc[nH]n1)c1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 4/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.38
ALPL P05186 1/20 0.38
PNLIP P16233 2/20 0.36
NPC1 O15118 5/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
FADS1 O60427 1/20 0.34
P2RX1 P51575 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL79490 0.82 KDM4E (0.52) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL11662498 0.78 L1CAM (0.50) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL10955725 0.72 SMN1; SMN2 (0.51) MEN1KMT2AKDM4EHTTTP53
SCHEMBL10955717 0.72 SMN1; SMN2 (0.51) MEN1KMT2AKDM4EHTTTP53
SCHEMBL2123445 0.71 HPGD (0.44) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL11755497 0.69 L1CAM (0.40) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL19993478 0.68 CA1 (0.43) MEN1KMT2AKDM4ETP53HPGD
SCHEMBL10575449 0.67 F2 (0.56) MEN1KMT2AHTTHPGDNPC1
SCHEMBL10909339 0.67 CA12 (0.49) KDM4ELMNAGAAALDH1A1P2RX1
SCHEMBL11609173 0.66 ADORA3 (0.60) MEN1KMT2ATP53HSD17B10NPC1

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-20100222474-A1 Thremoplastic Resin Composition and Product Therefrom DUPONT TORAY SPECIALTY MATERIALS KABUSHIKI KAISHA (JP) 2010-09-02 US disclosed