SCHEMBL29877409

SCHEMBL29877409

Brc1cnc2c(ccc3ncsc32)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
DYRK1A Q13627 2/20 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
SCHEMBL26968777 1.00 BACE1 (0.33) BACE1CCR1CCR5CCR8RAB9A
SCHEMBL557234 0.75 CCR1 (0.52) BACE1CCR1CCR5CCR8RAB9A
SCHEMBL29407003 0.75 CCR1 (0.52) BACE1CCR1CCR5CCR8RAB9A
SCHEMBL29966934 0.75 BACE1 (0.41) BACE1RAB9AKDM4EMAPTRXFP1
SCHEMBL28874637 0.75 BACE1 (0.41) BACE1RAB9AKDM4EMAPTRXFP1
SCHEMBL28874631 0.72 CYP1A2 (0.39) BACE1RAB9AKDM4EPPARGSMN1; SMN2
SCHEMBL9980542 0.72 EGFR (0.37)
SCHEMBL140968 0.70 LMNA (0.54) CCR1CCR5CCR8RAB9AKDM4E
SCHEMBL28864557 0.70 CCR1 (0.46) BACE1CCR1CCR5CCR8RAB9A
Hydrochloric Acid SCHEMBL9299437 0.70 EGFR (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4294805-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES Regents of the University of Minnesota (US) 2023-12-27 EP disclosed
WO-2022178437-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-08-25 WO disclosed