SCHEMBL23792018

SCHEMBL23792018

CO[n+]1c(Cl)c(C#N)cc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 10/20 0.36
KDM4E B2RXH2 8/20 0.36
NPSR1 Q6W5P4 6/20 0.36
HPGD P15428 5/20 0.36
MAPT P10636 3/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 5/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 2/20 0.33
PPARG P37231 2/20 0.33
NCOA2 Q15596 2/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CASP1 P29466 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL23793384 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4ENPSR1HPGD
SCHEMBL23793391 0.80 KDM4E (0.36) SMN1; SMN2ALDH1A1KDM4ENPSR1HPGD
SCHEMBL23782959 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4ENPSR1HPGD
SCHEMBL29740958 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4ENPSR1HPGD
SCHEMBL25168149 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4ENPSR1HPGD
SCHEMBL23792824 0.71 KDM4E (0.36) SMN1; SMN2ALDH1A1KDM4ENPSR1HPGD
SCHEMBL23782736 0.71 KDM4E (0.36) SMN1; SMN2ALDH1A1KDM4ENPSR1HPGD
SCHEMBL23793075 0.71 KDM4E (0.40) ALDH1A1KDM4EHPGDAPOBEC3GMAPK1
SCHEMBL23782836 0.65 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4ENPSR1HPGD
SCHEMBL23793537 0.65 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4ENPSR1HPGD

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
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed