SCHEMBL9566616

SCHEMBL9566616

Nc1cc(C(=O)Nc2ncnc(-c3ccc(Cl)c(Cl)c3)n2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KMO O15229 6/20 0.43
▸ MPL P40238 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40

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
SCHEMBL9566461 0.88 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9566634 0.85 ADORA1 (0.48) MEN1KMT2AKDM4EMAPTKCNQ3
SCHEMBL10483353 0.84 SIRT2 (0.55) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9566514 0.83 CSNK1D (0.45) KDM4EMAPTGABRPGABRDGABRA1
SCHEMBL9566552 0.83 GABRP (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9566580 0.83 L3MBTL1 (0.42) KMT2ANPC1RAB9AKCNQ3KCNQ2
SCHEMBL9566563 0.82 TYK2 (0.49) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9566531 0.82 HDAC1 (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9566459 0.81 JAK2 (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10483488 0.81 L3MBTL1 (0.45) KMT2AMPLNPC1RAB9AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US claimed
EP-0563386-A1 ANTICANCER COMPOSITION AND COMPOUND NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-10-06 — — EP disclosed
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US disclosed
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