SCHEMBL11039338

SCHEMBL11039338

Nc1sc(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 3/20 0.37
MAPT P10636 7/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 11/20 0.37
KDM4E B2RXH2 2/20 0.37
ADORA1 P30542 2/20 0.37
RAD52 P43351 1/20 0.37
HPGD P15428 5/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 3/20 0.36
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL222220 0.84 ALDH1A1 (0.44) CISD2MAPTNPC1RAB9AALDH1A1
SCHEMBL22092 0.81 CYP1A2 (0.36) ALDH1A1KDM4EHPGDMAPK1CYP1A2
SCHEMBL2807538 0.79 CISD2 (0.51) CISD2MAPTNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL6231840 0.78 CYP1A2 (0.35) ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL18701558 0.70 DAO (0.33) ALDH1A1HPGD
SCHEMBL18701677 0.70 ALDH1A1 (0.39) NPC1RAB9AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL4302454 0.69 GPR35 (0.35) CISD2MAPTALDH1A1KDM4EHPGD
SCHEMBL3806488 0.68 GPR35 (0.32) KDM4E
SCHEMBL7157964 0.68 GPR35 (0.41) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL7837832 0.67 MEN1 (0.32) ALDH1A1HPGDMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040171-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE AS COLOURING AGENTS IN THE SILVER DYESTUFF BLEACHING PROCESS CIBA-GEIGY AG (CH) 1984-03-21 EP disclosed
EP-0040171-A2 Azo dyestuffs, methods for their preparation and their use as colouring agents in the silver dyestuff bleaching process CIBA-GEIGY AG (CH) 1981-11-18 EP disclosed