SCHEMBL21396336

SCHEMBL21396336

O=C(NCc1ccc(-n2cccc2)cc1)c1cc2ccccn2n1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.76
▸ MAPT P10636 3/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ HSD17B10 Q99714 2/20 0.62
▸ TP53 P04637 6/20 0.62
▸ AKR1C3 P42330 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ USP30 Q70CQ3 1/20 0.51

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
SCHEMBL21396417 0.84 KDM4E (0.67) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL21396339 0.83 KDM4E (0.66) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL21396337 0.79 MAPT (0.62) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL19358904 0.77 ALDH1A1 (0.70) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL21396317 0.77 MAPT (0.60) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL21378466 0.76 TP53 (0.56) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL21378462 0.76 TP53 (0.56) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL19358928 0.76 ALDH1A1 (0.70) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL20603251 0.74 TP53 (0.64) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL3816104 0.72 KDM4E (0.70) KDM4EMAPTALDH1A1HSD17B10TP53

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-2019180686-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — WO disclosed
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