SCHEMBL25805536

SCHEMBL25805536

Cc1ccc2c(Cl)c(C#N)c(Cl)nc2c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.36
▸ KMT2A Q03164 7/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ HTT P42858 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ XBP1 P17861 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
SCHEMBL25805404 0.82 L3MBTL1 (0.34) ALDH1A1L3MBTL1KMT2AMEN1POLB
SCHEMBL30774201 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EKMT2ACYP1A2
SCHEMBL18264128 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EKMT2ACYP1A2
SCHEMBL23986037 0.78 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EKMT2ACYP1A2
SCHEMBL30260039 0.75 MEN1 (0.31) ALDH1A1KMT2AMEN1POLBHPGD
SCHEMBL24373483 0.75 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL24424957 0.75 MEN1 (0.31) ALDH1A1KMT2AMEN1POLBHPGD
SCHEMBL30774158 0.75 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL24425031 0.72 — —
SCHEMBL18128520 0.72 ALDH1A1 (0.31) ALDH1A1L3MBTL1KMT2AHPGDLMNA

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-2023125627-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2023-07-06 — — WO disclosed
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