SCHEMBL31493196

SCHEMBL31493196

Cc1cc(O)ccc1C(N)=S

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MIF P14174 1/20 0.42
S1PR1 P21453 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RAD52 P43351 1/20 0.40
ESR2 Q92731 7/20 0.39
ESR1 P03372 5/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL10147428 0.80 TDP1 (0.44) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL5952602 0.78 MKNK1 (0.47) ALDH1A1KDM4EMAPTHSD17B1CES2
SCHEMBL28210375 0.78 F12 (0.48) ESR2ESR1CYP3A4CHRM1ALOX15
SCHEMBL11048210 0.77 CES2 (0.54) ALDH1A1HPGDKDM4EMEN1S1PR4
SCHEMBL3251690 0.77 ALDH1A1 (0.44) ALDH1A1HPGDMAPTNPSR1RAD52
SCHEMBL14800044 0.77 GAA (0.51) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL6894995 0.77 ALDH1A1 (0.39) ALDH1A1HPGDKMT2ARAD52CES2
SCHEMBL2818302 0.75 GAA (0.43) GAAKMT2AESR2ESR1CYP3A4
SCHEMBL31493221 0.74 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMEN1S1PR4
SCHEMBL31493220 0.74 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMEN1S1PR4

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-2025065102-A1 PHENYLTHIONE-2,3-DIHYDRO-1H-PYRROLIZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS H2S-RELEASING KETOROLAC ANALOGUES ANTIBE THERAPEUTICS INC. (CA) 2025-04-03 WO disclosed