SCHEMBL31648301

SCHEMBL31648301

CCOC(=O)Cn1nc2c(c1C)CCC2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TRPM2 O94759 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL31648183 0.92 ALDH1A1 (0.41) MAPK1LMNAKMT2AKDM4EALDH1A1
SCHEMBL31648679 0.84 POLQ (0.43) MAPK1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL31648531 0.83 ALDH1A1 (0.46) LMNAKMT2AALDH1A1TSHRGAA
SCHEMBL31648567 0.78 MAPK1 (0.41) MAPK1LMNAKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL31648774 0.76 POLQ (0.38) MAPK1LMNAKMT2AKDM4EALDH1A1
SCHEMBL31648311 0.75 ALDH1A1 (0.44) LMNAKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL15724348 0.75 MAPK1 (0.40) MAPK1LMNAKMT2AKDM4EALDH1A1
Lithium Ion SCHEMBL31648320 0.73 POLQ (0.35) —
SCHEMBL14488238 0.71 MAPK1 (0.40) MAPK1LMNAKMT2AKDM4EALDH1A1
SCHEMBL20756450 0.71 TRPM2 (0.41) MAPK1LMNAKDM4EALDH1A1HTT

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-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
Send feedback