SCHEMBL24991997

SCHEMBL24991997

CN1C(=O)/C(=C/c2cc3sc(N(CCO)CCO)cc3s2)SC1=S

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 1/20 0.44
CISD1 Q9NZ45 4/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
HSD17B3 P37058 1/20 0.41
CGAS Q8N884 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL24999636 0.90 NAT1 (0.44) NAT1CISD1MAOBMAOAHSD17B3
SCHEMBL24999643 0.81 NAT1 (0.39) NAT1CISD1MAOBMAOAHSD17B3
SCHEMBL24992003 0.81 NAT1 (0.40) NAT1CISD1MAOBMAOAHSD17B3
SCHEMBL24991952 0.81 CISD1 (0.42) NAT1CISD1MAOBMAOAHSD17B3
SCHEMBL24992405 0.79 AHR (0.42) MEN1ALDH1A1MAPTKMT2A
SCHEMBL25000048 0.78 CISD1 (0.39) NAT1CISD1MAOBMAOAHSD17B3
SCHEMBL24999640 0.78 GSK3B (0.42) NAT1CISD1MEN1ALDH1A1MAPT
SCHEMBL24999639 0.78 NAT1 (0.30) NAT1
SCHEMBL24999644 0.72 PRF1 (0.41)
SCHEMBL24991969 0.72 CYP2A6 (0.36)

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-2023011658-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
WO-2023011657-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed