SCHEMBL9214748

SCHEMBL9214748

COc1ccc(-c2ccsc2CSCCN)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
MAOB P27338 2/20 0.40
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
KEAP1 Q14145 1/20 0.37
KIF11 P52732 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 2/20 0.33
APP P05067 2/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL672238 0.72 TAAR1 (0.57) MAOBKIF11TAAR1ALDH1A1TSHR
SCHEMBL5146089 0.71 PTGS2 (0.47) PTGS2MAPTKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9371761 0.71 TAAR1 (0.55) MAOBKIF11TAAR1ALDH1A1TSHR
SCHEMBL28914110 0.69 NPC1 (0.50) PTGS2MAPTKDM4EKMT2AALDH1A1
SCHEMBL7797358 0.69 PTPN1 (0.60) PTGS2KDM4EKMT2AALDH1A1HTT
SCHEMBL8038496 0.67 PTGS2 (0.51) PTGS2MAPTALDH1A1NPC1POLB
SCHEMBL1181119 0.67 PTGS2 (0.73) PTGS2
Ammonia Solution, Strong SCHEMBL23908221 0.65 PTGS2 (0.71) PTGS2
SCHEMBL2779082 0.65 PTGS2 (0.50) PTGS2MAPTKDM4EKMT2AALDH1A1
SCHEMBL11594206 0.65 PRMT6 (0.49) KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 EP disclosed