SCHEMBL31211289

SCHEMBL31211289

Cc1cn2cc(Br)cc(-n3ccccc3=O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.39
CYP2C9 P11712 12/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MPI P34949 1/20 0.33
SCD O00767 1/20 0.32
TSHR P16473 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
SCHEMBL31210519 0.77 RXFP1 (0.38) CYP3A4CYP2C9RXFP1L3MBTL1KDM4E
SCHEMBL25151345 0.76 ALDH1A1 (0.41) CYP3A4CYP2C9CYP1A2CYP2D6CA12
SCHEMBL14021269 0.75 CYP3A4 (0.44) CYP3A4CYP2C9CYP1A2CYP2D6HRH4
SCHEMBL25151259 0.73 ALDH1A1 (0.39) CYP3A4CYP2C9CYP1A2CYP2D6CA12
SCHEMBL25151436 0.72 HSD17B10 (0.38) CYP3A4CYP2C9CYP1A2CYP2D6CA12
SCHEMBL30398786 0.71 CA12 (0.41) CYP3A4CYP2C9CYP1A2CYP2D6CA12
SCHEMBL23571663 0.68 HSD17B10 (0.46) CYP3A4CYP2C9CYP2D6RXFP1L3MBTL1
SCHEMBL23571661 0.68 RXFP1 (0.60) RXFP1L3MBTL1KDM4ETSHRNPSR1
SCHEMBL4886193 0.68 RXFP1 (0.44) RXFP1L3MBTL1ALDH1A1LMNATSHR
SCHEMBL31637513 0.68 HCAR1 (0.46) CYP3A4CYP2C9CA12CA1CA2

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-2024182778-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 WO disclosed