SCHEMBL26388657

SCHEMBL26388657

Cn1cc(I)c(-c2cccs2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RPS6KB2 Q9UBS0 3/20 0.40
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA1 P30542 4/20 0.38
ADORA2A P29274 1/20 0.38
PARP1 P09874 2/20 0.37
FYN P06241 1/20 0.37
GRK5 P34947 1/20 0.37

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
SCHEMBL2049950 0.81 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2053905 0.81 LMNA (0.45) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2050825 0.80 ADORA1 (0.44) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4834622 0.77 LMNA (0.64) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2049985 0.77 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21854198 0.76 ALDH1A1 (0.49) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3847403 0.73 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL26388364 0.69 KMT2A (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL16200382 0.69 THRB (0.42) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9385111 0.68 KMT2A (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1

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
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed