SCHEMBL9210482

SCHEMBL9210482

c1csc(CSCCN2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.40
SIGMAR1 Q99720 3/20 0.39
KDM1A O60341 2/20 0.38
CYP2C19 P33261 1/20 0.37
DRD4 P21917 2/20 0.37
DRD5 P21918 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DRD3 P35462 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 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
SCHEMBL9214894 0.82 ALDH1A1 (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL593083 0.80 HRH3 (0.48) ALDH1A1HTTSIGMAR1KDM1ACYP2C19
SCHEMBL9208818 0.79 ALDH1A1 (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5232155 0.77 SIGMAR1 (0.57) ALDH1A1HTTSIGMAR1KDM1ACYP2C19
SCHEMBL2026093 0.76 HTT (0.66) ALDH1A1HPGDSMN1; SMN2KDM4EHTT
SCHEMBL9378269 0.76 SIGMAR1 (0.51) HTTSIGMAR1KDM1ACYP2C19TSHR
SCHEMBL29289301 0.73 SIGMAR1 (0.49) HTTSIGMAR1KDM1ACYP2C19TSHR
SCHEMBL5144954 0.71 ALDH1A1 (0.51) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3781095 0.71 CYP1A2 (0.49) ALDH1A1NPC1RAB9AKDM4ESIGMAR1
SCHEMBL2585841 0.70 ALDH1A1 (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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