SCHEMBL10697938

SCHEMBL10697938

CCCCCCN1CC=C(c2csc(NC(C)=O)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
HTR1F P30939 1/20 0.41
ABL1 P00519 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DHFR P00374 2/20 0.39
EGFR P00533 2/20 0.39
PIK3CG P48736 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 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
SCHEMBL10698628 0.91 ABL1 (0.45) TYRHTR1FABL1NPC1KDM4E
SCHEMBL9833430 0.82 DHFR (0.42) TYRNPC1KDM4EMAPK1HSD17B10
SCHEMBL10697725 0.81 SMN1; SMN2 (0.43) TYRHTR1FABL1NPC1KDM4E
Hydrochloric Acid SCHEMBL10698643 0.78 DHFR (0.42) TYRDHFREGFR
SCHEMBL10697869 0.75 PARP1 (0.43) TYRHTR1FNPC1KDM4EMAPK1
SCHEMBL10697871 0.75 PARP1 (0.43) TYRHTR1FNPC1KDM4EMAPK1
SCHEMBL10698637 0.75 HTR6 (0.40)
SCHEMBL9835802 0.74 ABL1 (0.45) TYRABL1DHFREGFR
SCHEMBL10696447 0.71 PIK3CG (0.46) HTR1FPI4KBPIK3CG
SCHEMBL10697120 0.70 KDM4E (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A

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
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed