SCHEMBL11253284

SCHEMBL11253284

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL11250957 0.81 NPC1 (0.51) NPC1RAB9APAX8CTDSP1ALDH1A1
SCHEMBL11255307 0.81 NPC1 (0.51) NPC1RAB9APAX8CTDSP1ALDH1A1
SCHEMBL11253656 0.79 NPC1 (0.49) NPC1RAB9APAX8CTDSP1ALDH1A1
SCHEMBL27991912 0.79 KDM4E (0.45) NPC1RAB9APAX8CTDSP1ALDH1A1
SCHEMBL11268552 0.77 CTSL (0.35) ALDH1A1TDP1
SCHEMBL11321743 0.77 CTSS (0.33) ALDH1A1TDP1POLB
SCHEMBL4044913 0.76 EPHX1 (0.46) NPC1RAB9APAX8CTDSP1ALDH1A1
SCHEMBL11256655 0.76 KDM4E (0.43) CTDSP1TDP1RXFP1
SCHEMBL11259758 0.76 KDM4E (0.43) CTDSP1TDP1RXFP1
SCHEMBL11248072 0.76 KDM4E (0.43) CTDSP1TDP1RXFP1

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