SCHEMBL9197103

SCHEMBL9197103

CC1=C(C(=O)Nc2cc(C(=O)OC(C)C)c(Cl)cc2F)SCCO1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 4/20 0.51
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 1/20 0.45
NPC1 O15118 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB2 P07550 1/20 0.40
WDR5 P61964 1/20 0.39

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
SCHEMBL9201567 0.91 MAPK1 (0.49) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL9203559 0.90 RAB9A (0.51) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL9198223 0.83 MAPK1 (0.55) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL29456993 0.83 MAPK1 (0.55) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL9198177 0.82 RAB9A (0.56) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL9203461 0.81 MAPK1 (0.55) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL9197895 0.76 MAPK1 (0.57) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL29631618 0.74 MAPK1 (0.44) KMT2AMEN1MAPK1HSD17B10RAB9A
SCHEMBL10644700 0.74 KDM4E (0.43) KMT2AMAPK1HSD17B10POLBTDP1
SCHEMBL10647200 0.74 MAPT (0.46) RAB9ANPC1POLBWDR5

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-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US disclosed