SCHEMBL11248072

SCHEMBL11248072

N#CC1(NC(=O)C(Br)CBr)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
CTSC P53634 2/20 0.40
CTSS P25774 6/20 0.39
CTSB P07858 3/20 0.39
CTSK P43235 3/20 0.39
CTSL P07711 3/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
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
SCHEMBL11256655 1.00 KDM4E (0.43) KDM4EATMRXFP1CTSCCTSS
SCHEMBL11259758 1.00 KDM4E (0.43) KDM4EATMRXFP1CTSCCTSS
SCHEMBL11252913 0.98 KDM4E (0.41) KDM4EATMRXFP1CTSCCTSS
SCHEMBL10810638 0.86 KDM4E (0.43) KDM4EATMRXFP1CTSCCTSS
SCHEMBL10808345 0.86 KDM4E (0.43) KDM4EATMRXFP1CTSCCTSS
SCHEMBL10815033 0.84 KDM4E (0.41) KDM4EATMRXFP1CTSCCTSS
SCHEMBL10805384 0.83 KDM4E (0.43) KDM4EATMRXFP1CTSCCTSS
SCHEMBL10809333 0.83 KDM4E (0.43) KDM4EATMRXFP1CTSCCTSS
SCHEMBL11256458 0.80 CTSL (0.40) KDM4EATMCTSSCTSBCTSK
SCHEMBL11253284 0.76 NPC1 (0.45) RXFP1CTDSP1TDP1

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
US-4335053-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed