SCHEMBL28013552

SCHEMBL28013552

O=C(Oc1ccccc1)c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBBP9 O75884 2/20 0.51
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PLA2G4A P47712 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 2/20 0.46
CES1 P23141 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1091620 0.83 ALDH1A1 (0.44) RBBP9ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27639822 0.83 MAPT (0.53) RBBP9ALDH1A1NPC1RAB9ASMN1; SMN2
Diphenylether SCHEMBL28212639 0.79 RBBP9 (0.48) RBBP9ALDH1A1HPGDNPC1RAB9A
SCHEMBL22393879 0.79 PLA2G4A (0.54) RBBP9ALDH1A1RAB9APLA2G4ACES1
SCHEMBL15921297 0.77 PLA2G4A (0.60) RBBP9ALDH1A1HPGDNPC1RAB9A
SCHEMBL20662531 0.73 PLA2G4A (0.66) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL25242978 0.73 ALDH1A1 (0.57) RBBP9ALDH1A1PLA2G4AMAPTCES1
SCHEMBL2008703 0.73 PLA2G7 (0.57) RBBP9ALDH1A1HPGDNPC1RAB9A
Naphthalene SCHEMBL10946968 0.73 ALDH1A1 (0.52) RBBP9ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25243570 0.73 ALDH1A1 (0.52) RBBP9ALDH1A1PLA2G4AMAPTCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674148-A Preparation method of (5-halogenothiazole-2-yl) benzoic acid compounds 苏州汉德创宏生化科技有限公司 2017-05-17 CN disclosed
CN-103442566-B The compound of Therapeutic cancer GTX, INC. (US) 2015-12-09 CN disclosed
CN-102883607-B Compounds for the treatment of cancer GTX INC 2015-07-22 CN disclosed
CN-104592205-A COMPOUNDS FOR TREATMENT OF CANCER GTX INC 2015-05-06 CN disclosed