SCHEMBL9745139

SCHEMBL9745139

CCCOC(=O)c1cccc(NC(=O)C2=C(C)OCCS2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MAPK1 P28482 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 3/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9198161 0.93 KMT2A (0.64) KMT2AMAPK1HSD17B10ALDH1A1MEN1
SCHEMBL9203711 0.87 MAPK1 (0.67) KMT2AMAPK1HSD17B10MEN1POLB
SCHEMBL9203357 0.84 MAPK1 (0.63) KMT2AMAPK1HSD17B10MEN1POLB
SCHEMBL9442138 0.82 MAPK1 (0.74) KMT2AMAPK1HSD17B10MEN1POLB
SCHEMBL9196878 0.82 MAPK1 (0.52) KMT2AMAPK1HSD17B10MEN1POLB
SCHEMBL15094425 0.79 RAB9A (0.59) KMT2AMAPK1HSD17B10ALDH1A1MEN1
SCHEMBL9200225 0.77 MAPK1 (0.50) KMT2AMAPK1HSD17B10MEN1POLB
Carboxin SCHEMBL18392 0.76 MAPK1 (1.00) KMT2AMAPK1HSD17B10MEN1POLB
Carboxin SCHEMBL8819780 0.76 MAPK1 (1.00) KMT2AMAPK1HSD17B10MEN1POLB
SCHEMBL9198342 0.76 KMT2A (0.70) KMT2AMAPK1HSD17B10MEN1POLB

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-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP claimed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO claimed