SCHEMBL8288762

SCHEMBL8288762

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.67
MAPT P10636 6/20 0.54
AR P10275 2/20 0.53
ALDH1A1 P00352 6/20 0.52
LMNA P02545 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
GSTO1 P78417 1/20 0.51
POLB P06746 1/20 0.49
PTPRC P08575 1/20 0.48
PTPRF P10586 1/20 0.48
PTPN2 P17706 1/20 0.48

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
SCHEMBL5919019 0.83 PRKCZ (0.61) PRKCZMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11518208 0.81 PRKCZ (1.00) PRKCZMAPTARALDH1A1TSHR
SCHEMBL8290370 0.78 MAPT (0.68) PRKCZMAPTALDH1A1LMNACYP1A2
SCHEMBL13837643 0.75 ANO1 (0.58) PRKCZMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL20690582 0.74 ALDH1A1 (0.67) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL1554606 0.73 PRKCZ (0.73) PRKCZMAPTALDH1A1LMNATSHR
SCHEMBL9754581 0.71 PRKCZ (0.60) PRKCZMAPTARALDH1A1MAPK1
SCHEMBL23599197 0.70 LMNA (0.74) MAPTALDH1A1LMNACYP3A4CYP2C9
SCHEMBL276323 0.70 AR (0.56) PRKCZMAPTARSMN1; SMN2RAB9A
SCHEMBL14123489 0.70 PRKCZ (0.63) PRKCZMAPTALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed