SCHEMBL24012218

SCHEMBL24012218

CC[S+]([O-])c1ccc(-n2cncn2)nc1-c1nc2cc(C(F)(F)F)nc(Cl)c2n1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL20468292 0.91 ALDH1A1 (0.32) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL20465984 0.88 ALDH1A1 (0.30) ALDH1A1HPGDGLASMN1; SMN2
SCHEMBL24286101 0.84 ALOX5AP (0.30) —
SCHEMBL20465940 0.83 ALDH1A1 (0.32) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL21805952 0.82 HSD17B10 (0.33) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL20104434 0.80 — —
SCHEMBL20465938 0.80 SMN1; SMN2 (0.34) ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL18866375 0.79 POLB (0.37) SMN1; SMN2
SCHEMBL20465925 0.77 SMN1; SMN2 (0.33) ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL18854948 0.76 KDM4E (0.30) KDM4E

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
EP-3577114-B1 METHOD FOR THE PREPARATION OF HALOGENATED IMIDAZOPYRIDINE DERIVATIVES BAYER AG (DE) 2021-11-10 — — EP disclosed
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