SCHEMBL9804398

SCHEMBL9804398

CC(C)(C)c1cc(Cn2c(=S)sc3ccc([N+](=O)[O-])cc32)c(C(C)(C)C)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.37
NR1H4 Q96RI1 3/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PITRM1 Q5JRX3 1/20 0.35
CYP1A2 P05177 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CTSB P07858 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL9692953 0.83 KMT2A (0.45) NOX4POLBKMT2ASMN1; SMN2MEN1
SCHEMBL9694564 0.74 NOX4 (0.51) NOX4POLBKMT2ASMN1; SMN2MEN1
SCHEMBL397097 0.69 SMN1; SMN2 (0.59) NR1H4POLBKMT2ASMN1; SMN2MEN1
SCHEMBL98883 0.66 ALDH1A1 (0.52) POLBKMT2ASMN1; SMN2MEN1HTT
SCHEMBL1530325 0.66 SMN1; SMN2 (0.65) NR1H4POLBKMT2ASMN1; SMN2MEN1
SCHEMBL9694779 0.62 ALDH1A1 (0.38) L3MBTL1CYP1A2HPGD
SCHEMBL9694360 0.62 F2R (0.43) POLBKMT2ASMN1; SMN2MEN1HTT
SCHEMBL11295780 0.61 ALOX15 (0.44) KMT2ASMN1; SMN2MEN1HTTCYP1A2
SCHEMBL11654599 0.61 SMN1; SMN2 (0.60) NR1H4KMT2ASMN1; SMN2MEN1GALR3
SCHEMBL9694390 0.61 F2R (0.39) POLBSMN1; SMN2HTTL3MBTL1CYP1A2

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-0259254-B1 PHENOLIC BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS CORROSION INHIBITORS CIBA-GEIGY AG (CH) 1991-04-17 EP disclosed
EP-0259254-A1 Phenolic benzothiazole derivatives and their use as corrosion inhibitors CIBA-GEIGY AG (CH) 1988-03-09 EP disclosed