SCHEMBL11258952

SCHEMBL11258952

N#CC1(NC(=O)C(Cl)Cl)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
CTSC P53634 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
CTSS P25774 5/20 0.39
CTSB P07858 4/20 0.39
CTSK P43235 4/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CTSL P07711 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11251570 1.00 RXFP1 (0.44) RXFP1KDM4EATMCTSCNPC1
SCHEMBL11252123 1.00 RXFP1 (0.44) RXFP1KDM4EATMCTSCNPC1
SCHEMBL11252268 0.98 RXFP1 (0.42) RXFP1KDM4EATMCTSCNPC1
SCHEMBL10805384 0.82 KDM4E (0.43) RXFP1KDM4EATMCTSCNPC1
SCHEMBL10809333 0.82 KDM4E (0.43) RXFP1KDM4EATMCTSCNPC1
SCHEMBL10810638 0.78 KDM4E (0.43) RXFP1KDM4EATMCTSCNPC1
SCHEMBL10808345 0.78 KDM4E (0.43) RXFP1KDM4EATMCTSCNPC1
SCHEMBL11245635 0.77 CTSL (0.40) KDM4EATMCTSCCTSSCTSB
SCHEMBL10815033 0.76 KDM4E (0.41) RXFP1KDM4EATMCTSCNPC1
SCHEMBL11259758 0.76 KDM4E (0.43) RXFP1KDM4EATMCTSCCTSS

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-4335053-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed
US-4288384-A N-Cyanoalkyl haloacetamides herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1981-09-08 US disclosed