SCHEMBL31489111

SCHEMBL31489111

COc1ccc(CN2Cc3c(F)ccc(F)c3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
PTGIR P43119 1/20 0.49
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 1/20 0.46
CMA1 P23946 1/20 0.46
CHKA P35790 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44

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
SCHEMBL24029363 0.91 SIGMAR1 (0.47) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL19357853 0.91 SIGMAR1 (0.47) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL24029365 0.89 SIGMAR1 (0.44) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL29710313 0.83 SIGMAR1 (0.44) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL19357722 0.83 SIGMAR1 (0.44) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL12616547 0.79 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL3606181 0.79 SIGMAR1 (0.53) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL21522072 0.78 KMT2A (0.47) SIGMAR1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL24761528 0.78 ACACB (0.51) SIGMAR1SMN1; SMN2PTGIRMAPTCHKA
SCHEMBL1043952 0.76 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRALDH1A1CHKA

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-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed