SCHEMBL28033552

SCHEMBL28033552

Clc1ccnc(OCC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
HTR6 P50406 1/20 0.47
CDK2 P24941 4/20 0.44
CCNA2 P20248 3/20 0.44
CCNA1 P78396 3/20 0.44
PTGER1 P34995 4/20 0.41
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CHUK O15111 1/20 0.40
CDK1 P06493 3/20 0.40
CCNB2 O95067 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 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
SCHEMBL28014601 0.93 SLC6A4 (0.42) SLC6A4HTR6CDK2CCNA2CCNA1
Acetic Acid SCHEMBL27836187 0.82 ACACB (0.44) PTGER1
SCHEMBL16453504 0.81 KDM4E (0.46) CDK2CCNA2CCNA1LOXLOXL2
SCHEMBL16453454 0.79 KDM4E (0.44) CDK2CCNA2CCNA1LOXLOXL2
SCHEMBL16453511 0.78 LOX (0.48) CDK2CCNA2CCNA1LOXLOXL2
SCHEMBL16450597 0.77 CCNA2 (0.42) CDK2CCNA2CCNA1LOXLOXL2
SCHEMBL19955027 0.77 CCNA2 (0.42) CDK2CCNA2CCNA1LOXLOXL2
SCHEMBL16453457 0.76 LOX (0.46) CDK2CCNA2CCNA1LOXLOXL2
SCHEMBL2193578 0.76 KDM4C (0.52) CDK2CCNA2CCNA1CDK1PARP15
SCHEMBL19955028 0.75 ACACB (0.41) CDK2CCNA2CCNA1MAOAMAOB

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
CN-102529310-B Original edition of lithographic printing plate and lithographic process FUJI FILM CORP. (JP) 2015-09-16 CN disclosed