SCHEMBL20155547

SCHEMBL20155547

Nc1ccnc(Cl)c1/C=N/Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ THRB P10828 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CA2 P00918 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35

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
SCHEMBL20155114 0.80 MAPT (0.36) MAPTKDM4ETHRBTDP1L3MBTL1
SCHEMBL20155576 0.79 RET (0.42) TDP1L3MBTL1SMN1; SMN2POLBGAA
SCHEMBL20155536 0.72 KDM4E (0.37) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL20155142 0.72 CREBBP (0.32) —
SCHEMBL10688866 0.71 MAPT (0.49) MAPTKDM4ETHRBTDP1L3MBTL1
SCHEMBL13197243 0.69 G6PC1 (0.58) MAPTKDM4ETHRBTDP1ALDH1A1
SCHEMBL34460869 0.69 G6PC1 (0.58) MAPTKDM4ETHRBTDP1ALDH1A1
SCHEMBL20155722 0.69 EGFR (0.39) —
SCHEMBL20155435 0.69 KDR (0.35) KDM4EHPGDSMN1; SMN2
SCHEMBL529516 0.68 ALDH1A1 (0.38) MAPTKDM4ETHRBTDP1ALDH1A1

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-2018086604-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 — — WO disclosed
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