SCHEMBL30398786

SCHEMBL30398786

Cc1cn2nccc(-n3ccccc3=O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 11/20 0.36
CYP3A4 P08684 10/20 0.36
PDE10A Q9Y233 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
SCD O00767 1/20 0.34
POLB P06746 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL25151345 0.82 ALDH1A1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL25151259 0.79 ALDH1A1 (0.39) CA12CA1CA2CA9CA14
SCHEMBL25151436 0.78 HSD17B10 (0.38) CA12CA1CA2CA9CA14
SCHEMBL30398943 0.77 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL31211289 0.71 CYP3A4 (0.39) CA12CA1CA2CA9CA14
SCHEMBL9111534 0.71 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL31456683 0.69 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL27250755 0.69 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL15004634 0.69 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP2C9CYP1A2
SCHEMBL30527437 0.68 CA12 (0.60) CA12CA1CA2CA9CA14

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-4416141-A1 COMPOUNDS AND METHODS FOR MODULATING NUCLEIC ACID SPLICING Remix Therapeutics Inc. (US) 2024-08-21 EP disclosed
WO-2023064880-A1 COMPOUNDS AND METHODS FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC. (US) 2023-04-20 WO disclosed