SCHEMBL11468503

SCHEMBL11468503

CC1=C(C(=O)Nc2ccccc2)CCCS1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
DHODH Q02127 3/20 0.49
HPGD P15428 3/20 0.45
POLB P06746 1/20 0.42
RAB9A P51151 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42
PARP1 P09874 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 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
SCHEMBL11346358 0.78 DHODH (0.54) HSD17B10DHODHHPGDPOLBRAB9A
SCHEMBL11634051 0.76 HSD17B10 (0.64) HSD17B10MAPK1HPGDRAB9ATDP1
SCHEMBL9562844 0.76 DHODH (0.55) HSD17B10DHODHHPGDPOLBRAB9A
SCHEMBL8762690 0.74 DHODH (0.76) DHODHHPGDPOLBPARP1PARP15
SCHEMBL3915670 0.74 DHODH (0.81) DHODHPOLBRAB9APARP1PARP15
SCHEMBL4257455 0.73 MAPK1 (0.68) HSD17B10MAPK1HPGDPOLBRAB9A
SCHEMBL21874 0.73 MAPK1 (0.56) HSD17B10MAPK1DHODHHPGDPOLB
SCHEMBL27536466 0.71 PARP1 (0.60) HSD17B10DHODHHPGDPOLBRAB9A
SCHEMBL7019511 0.69 HSD17B10 (0.58) HSD17B10MAPK1DHODHHPGDPOLB
SCHEMBL3915266 0.69 DHODH (0.77) DHODHPOLBRAB9APARP1PARP15

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
US-4201715-A Process for the anilidization of carboxylic acid esters WACKER-CHEMIE GMBH (DE) 1980-05-06 US disclosed
EP-0003105-A1 Process for the anilidation of carboxylic acid esters Wacker-Chemie GmbH (DE) 1979-07-25 EP disclosed