SCHEMBL23532002

SCHEMBL23532002

C=C(Cc1oc2c(Cl)cccc2c1C)C(=O)NC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
AHR P35869 1/20 0.35
TTR P02766 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL29958593 0.86 ATM (0.43) ATMRAB9AABL1RIN1TDP1
SCHEMBL29958628 0.85 RAB9A (0.41) RAB9APTGDR2
SCHEMBL23532005 0.74 MEN1 (0.40) ATMRAB9AABL1RIN1TDP1
SCHEMBL23532074 0.72 ABL1 (0.41) ATMRAB9AABL1RIN1TDP1
SCHEMBL29958557 0.72 ALOX5 (0.48) ATMRAB9A
SCHEMBL23532060 0.72 RAB9A (0.60) ATMRAB9AABL1RIN1TDP1
SCHEMBL29958779 0.71 SLC22A12 (0.43) TDP1MEN1GAAKMT2AHPGD
SCHEMBL29958832 0.71 ALOX5 (0.36) RAB9AGAASMN1; SMN2LMNATTR
SCHEMBL23532077 0.69 TDP1 (0.45) ATMRAB9AABL1RIN1TDP1
SCHEMBL11233136 0.68 ATM (0.54) ATMRAB9AABL1RIN1TDP1

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
EP-4077324-A1 NOVEL COMPOUNDS AND THEIR USE Debiopharm International SA (CH) 2022-10-26 EP claimed
WO-2021123372-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2021-06-24 WO claimed