SCHEMBL9550296

SCHEMBL9550296

CCN(CC)C(=O)n1cnc(SC(C(=O)c2ccccc2)c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL7660067 0.73 LMNA (0.37) ALDH1A1HSD17B10MAPTSMN1; SMN2POLB
SCHEMBL5376960 0.72 DAGLA (0.36) GAAMGLLP2RX4
SCHEMBL9378936 0.69 LMNA (0.36) ALDH1A1GAAHSD17B10CYP3A4MAPT
SCHEMBL9491268 0.69 ALDH1A1 (0.40) ALDH1A1HSD17B10SMN1; SMN2POLBHPGD
SCHEMBL11035938 0.68 MAPT (0.54) GAAHSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL9725531 0.67 TDP1 (0.32) ALDH1A1SMN1; SMN2POLBHPGDMGLL
SCHEMBL7658352 0.66 POLB (0.34) SMN1; SMN2POLBMGLLLMNAP2RX4
SCHEMBL9015526 0.65 MAPT (0.33) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL16143757 0.65 USP2 (0.40) ALDH1A1ALOX15HSD17B10CYP1A2CYP3A4
SCHEMBL10882291 0.65 LMNA (0.59) ALDH1A1GAAALOX15HSD17B10CYP1A2

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
JP-5194432-A None JP disclosed
JP-H05194432-A TRIAZOLE DERIVATIVE AND HERBICIDE HOKKO CHEM IND CO LTD 1993-08-03 JP disclosed