SCHEMBL31139868

SCHEMBL31139868

CCC(=O)N1N=C(c2sccc2C)CC1c1cnc(C)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 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
SCHEMBL31139831 0.90 MEN1 (0.45) MEN1KMT2AKDM4E
SCHEMBL31139805 0.88 KMT2A (0.43) MEN1KMT2AKDM4EALDH1A1
SCHEMBL31139810 0.82 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1
SCHEMBL31139733 0.82 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL25433304 0.81 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL31139820 0.81 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL31139813 0.80 KMT2A (0.48) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL31139734 0.79 KMT2A (0.64) MEN1KMT2AKDM4EALDH1A1
SCHEMBL31139845 0.79 KMT2A (0.64) MEN1KMT2AKDM4EALDH1A1
SCHEMBL31139725 0.79 KMT2A (0.64) MEN1KMT2AKDM4EALDH1A1

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
CN-118696034-A Novel bicyclic compounds as RAD51 inhibitors 萨提亚疗法股份有限公司 2024-09-24 — — CN disclosed
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