SCHEMBL30955673

SCHEMBL30955673

CSc1ncc2c(=O)[nH]cc(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ TTK P33981 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ PARP1 P09874 6/20 0.34
▸ HASPIN Q8TF76 2/20 0.34
▸ PDE9A O76083 1/20 0.34
▸ PARP14 Q460N5 1/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PARP4 Q9UKK3 1/20 0.31

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
SCHEMBL20654437 1.00 MEN1 (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL15507750 0.88 MEN1 (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL24339631 0.83 MEN1 (0.40) MEN1KMT2APIM1TTKPIM2
SCHEMBL29421498 0.83 MEN1 (0.40) MEN1KMT2APIM1TTKPIM2
SCHEMBL24340067 0.83 MEN1 (0.42) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL15565833 0.83 MEN1 (0.40) MEN1KMT2APIM1TTKPIM2
SCHEMBL26341089 0.77 MEN1 (0.40) MEN1KMT2APIM1TTKPIM2
SCHEMBL26341112 0.77 MEN1 (0.42) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL15206584 0.76 ALDH1A1 (0.51) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL15598362 0.74 MAPK1 (0.43) MEN1KMT2ATTK

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-2024131893-A1 IRE1α SMALL MOLECULE INHIBITORS SHANGHAI YI ZHONG XING BIOTECHNOLOGY CO., LTD. (CN) 2024-06-27 — — WO disclosed
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