SCHEMBL31490958

SCHEMBL31490958

N#CSc1c[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
KIF11 P52732 3/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CHUK O15111 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL31490967 0.76 SLC6A4 (0.49) IDO1HTR1AHTR6
SCHEMBL29307612 0.76 IDO1 (0.54) IDO1HTR1ADRD2HTR7HTR6
SCHEMBL31490964 0.76 TUBB4A (0.49) IDO1HTR1ADRD2HTR7HTR6
SCHEMBL31490963 0.76 IDO1 (0.49) IDO1HTR1ADRD2HTR7HTR6
SCHEMBL31490943 0.76 CSNK2A1 (0.54) IDO1HTR1ADRD2HTR7HTR6
SCHEMBL17026820 0.76 HTR1A (0.48) IDO1KIF11HTR1ADRD2HTR7
SCHEMBL22802292 0.74 IDO1 (0.48) IDO1KIF11HTR1ADRD2HTR7
SCHEMBL30937483 0.73 CSNK2A1 (0.61) IDO1KIF11HTR1ADRD2HTR7
SCHEMBL31490955 0.73 TUBB4A (0.56) IDO1HTR1AHTR7HTR6KDM4E
SCHEMBL22802289 0.72 TUBB4A (0.48) IDO1KIF11HTR1ADRD2HTR7

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
CN-119823020-A Preparation method of 3-thiocyanatoindole derivative 常州工程职业技术学院 2025-04-15 CN disclosed