SCHEMBL20043976

CCCCCCCCc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc(/C=C5\C(=O)c6ccccc6C5=C(C#N)C#N)s4)sc3-c3sc4c5c(sc4c32)-c2sc(-c3ccc(/C=C4\C(=O)c6ccccc6C4=C(C#N)C#N)s3)cc2C5(c2ccc(C)cc2)c2ccc(CCCCCCCC)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KDM4E	B2RXH2	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	LMNA	P02545	1/20	0.30

▸	GAA	P10253	1/20	0.30

▸	MAPT	P10636	1/20	0.30

▸	PKM	P14618	1/20	0.30

▸	HPGD	P15428	1/20	0.30

▸	CACNA1B	Q00975	1/20	0.30

▸	APBA1	Q02410	1/20	0.30

▸	NPSR1	Q6W5P4	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.

Compound	similarity	top predicted	shared targets
SCHEMBL20043994	0.91	KMT2A (0.35)	ALDH1A1MAPTPKMHPGDNPSR1
SCHEMBL19570529	0.88	ALDH1A1 (0.31)	KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL21949304	0.86	KDM4E (0.31)	KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20044325	0.85	MGAT2 (0.32)	KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20247155	0.84	MGAT2 (0.30)	—
SCHEMBL25791389	0.84	KDM4E (0.31)	KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL21565637	0.83	KDM4E (0.32)	KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20363810	0.83	KDM4E (0.31)	KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL21173166	0.83	KDM4E (0.33)	KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL21211595	0.82	—	—

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2018065352-A1	ORGANIC PHOTODETECTOR	MERCK PATENT GMBH (DE)	2018-04-12	—	—	WO	disclosed
WO-2018065356-A1	ORGANIC SEMICONDUCTING COMPOUNDS	MERCK PATENT GMBH (DE)	2018-04-12	—	—	WO	disclosed