SCHEMBL29463149

SCHEMBL29463149

O=C(c1cccs1)c1c[nH]nc1C(=O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALOX15 P16050 2/20 0.50
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL523863 0.83 MAPT (0.49) LMNAALOX15CCNB2CCNE2CDK1
SCHEMBL8192196 0.73 MAPT (0.42) LMNAALOX15CCNB2CCNE2CDK1
SCHEMBL9148337 0.73 LMNA (0.85) LMNAALOX15HPGDSALDH1A1HPGD
SCHEMBL182010 0.72 CES2 (0.71) LMNAALOX15HPGDSALDH1A1HPGD
SCHEMBL257287 0.72 HPGDS (0.55) LMNAALOX15HPGDSALDH1A1HPGD
SCHEMBL2656185 0.70 HPGDS (0.49) LMNAALOX15HPGDSALDH1A1HPGD
SCHEMBL24554622 0.70 KDM4E (0.53) LMNAALOX15CDK2HPGDSALDH1A1
SCHEMBL27697492 0.69 HPGDS (0.47) LMNAALOX15HPGDSALDH1A1HPGD
SCHEMBL11930062 0.68 ALOX15 (0.64) LMNAALOX15HPGDSALDH1A1HPGD
SCHEMBL3859942 0.67 ALOX15 (1.00) LMNAALOX15HPGDSALDH1A1HPGD

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
CN-112876416-B Diaryl formyl substituted pyrazole compound and preparation method thereof 浙大城市学院 2022-03-29 CN claimed