SCHEMBL6895007

SCHEMBL6895007

NC(=S)Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 2/20 0.48
ATG4B Q9Y4P1 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
IDO1 P14902 5/20 0.47
TAAR1 Q96RJ0 1/20 0.44
GAA P10253 1/20 0.44
AGXT P21549 2/20 0.43
CTBP2 P56545 1/20 0.42
MAPK8 P45983 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 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
SCHEMBL7493890 0.78 PLA2G1B (0.50) PLA2G1BATG4BLOXL2IDO1TAAR1
SCHEMBL8135240 0.78 CA2 (0.60) IDO1TAAR1CTBP2TDP1ALDH1A1
SCHEMBL6892256 0.77 TAAR1 (0.52) PLA2G1BATG4BLOXL2IDO1TAAR1
SCHEMBL10368085 0.76 PLA2G1B (0.48) PLA2G1BATG4BLOXL2IDO1TAAR1
SCHEMBL20269203 0.76 SMN1; SMN2 (0.61) IDO1TAAR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1999167 0.76 IDO1 (0.52) IDO1TAAR1GAAAGXTCTBP2
SCHEMBL14109100 0.76 IDO1 (0.43) IDO1TAAR1MAPK8
SCHEMBL183375 0.76 IDO1 (0.57) LOXL2IDO1TAAR1GAAAGXT
SCHEMBL13069072 0.76 LOXL2 (0.48) LOXL2IDO1TAAR1GAAAGXT
SCHEMBL4879318 0.76 IDO1 (0.47) IDO1TAAR1AGXTCTBP2MAPK8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
CN-120040373-A Thiazole GPR52 modulator compound 江苏海洋大学 2025-05-27 CN disclosed
WO-2016202935-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
CN-103140136-B fungicidal pyrazoles and mixtures thereof DUPONT (US) 2016-05-11 CN disclosed