SCHEMBL21396417

SCHEMBL21396417

O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2ccccn2n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.67
▸ MAPT P10636 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ TP53 P04637 6/20 0.62
▸ LMNA P02545 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ HSD17B10 Q99714 2/20 0.56
▸ AKR1C3 P42330 1/20 0.51
▸ USP30 Q70CQ3 1/20 0.51
▸ NAPEPLD Q6IQ20 1/20 0.49
▸ CFTR P13569 1/20 0.49

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
SCHEMBL21396339 0.88 KDM4E (0.66) KDM4EMAPTALDH1A1TP53LMNA
SCHEMBL21396337 0.87 MAPT (0.62) KDM4EMAPTALDH1A1TP53LMNA
SCHEMBL21396336 0.84 KDM4E (0.76) KDM4EMAPTALDH1A1TP53LMNA
SCHEMBL21396317 0.82 MAPT (0.60) KDM4EMAPTALDH1A1TP53LMNA
SCHEMBL21378557 0.79 NPC1 (0.52) KDM4EMAPTTP53LMNASMN1; SMN2
SCHEMBL21378555 0.79 NPC1 (0.52) KDM4EMAPTTP53LMNASMN1; SMN2
SCHEMBL29064129 0.77 PPARG (0.57) NPC1RAB9ANAPEPLDCFTR
SCHEMBL21396303 0.77 KDM4E (0.72) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL21396320 0.72 KDM4E (0.49) KDM4EMAPTTP53SMN1; SMN2NPC1
SCHEMBL31095756 0.72 KDM4E (0.55) KDM4EMAPTALDH1A1TP53LMNA

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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