SCHEMBL29636802

SCHEMBL29636802

COc1cc2nc(-c3ccc(N4CCNCC4)cc3)cc(NCCCN(C)C)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.49
RCOR1 Q9UKL0 10/20 0.49
EHMT2 Q96KQ7 7/20 0.49
KMT5A Q9NQR1 3/20 0.47
SYK P43405 3/20 0.45
ACP1 P24666 3/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL23015322 1.00 KDM1A (0.49) KDM1ARCOR1EHMT2KMT5ASYK
SCHEMBL29636709 0.89 SYK (0.46) KMT5ASYKACP1
SCHEMBL23029732 0.89 SYK (0.44) EHMT2KMT5ASYKACP1
SCHEMBL23029767 0.89 SYK (0.46) KMT5ASYKACP1
SCHEMBL23029700 0.85 SLC2A1 (0.60) ACP1SLC2A1
SCHEMBL29636791 0.85 ACP1 (0.52) SYKACP1SLC2A1
SCHEMBL23015376 0.85 ACP1 (0.52) SYKACP1SLC2A1
Hydrochloric Acid SCHEMBL29636760 0.84 SLC2A1 (0.59) ACP1SLC2A1
SCHEMBL23015284 0.83 EHMT2 (0.59) KDM1ARCOR1EHMT2KMT5ASYK
SCHEMBL23029743 0.83 KDM1A (0.54) KDM1ARCOR1EHMT2SYKACP1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed