SCHEMBL11256458

SCHEMBL11256458

CC(C)(C)C1CCC(C#N)(NC(=O)C(Br)CBr)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.40
CTSS P25774 14/20 0.37
CTSK P43235 11/20 0.37
CTSB P07858 9/20 0.37
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL11252913 0.81 KDM4E (0.41) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL11268552 0.80 CTSL (0.35) CTSLCTSSCTSKCTSB
SCHEMBL11245635 0.80 CTSL (0.40) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL11256655 0.80 KDM4E (0.43) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL11259758 0.80 KDM4E (0.43) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL11248072 0.80 KDM4E (0.43) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL11247776 0.74 CTSL (0.35) CTSLCTSSCTSKCTSB
SCHEMBL22068061 0.69 CYP1A2 (0.32)
SCHEMBL11256352 0.69 LMNA (0.32)
SCHEMBL10815033 0.68 KDM4E (0.41) CTSLCTSSCTSKCTSBKDM4E

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