SCHEMBL29636666

SCHEMBL29636666

COc1ccc(-c2cc(C(N)CCN)c3cc(OC)c(OC)cc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SLC2A1 P11166 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.46
SYK P43405 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ACACA Q13085 1/20 0.42
ACP1 P24666 3/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL28967176 1.00 KDM4E (0.51) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL28967193 0.84 ALDH1A1 (0.59) KDM4EALDH1A1MAPTLMNAHPGD
Hydrochloric Acid SCHEMBL29636779 0.83 ALDH1A1 (0.57) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL23015241 0.81 KDM4E (0.46) KDM4ESLC2A1ALDH1A1MAPTHPGD
SCHEMBL29636719 0.77 ALDH1A1 (0.49) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL29875058 0.74 PLA2G2A (0.50) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL23029741 0.74 SYK (0.62) SYKACP1
SCHEMBL29874547 0.74 SYK (0.62) SYKACP1
SCHEMBL23015316 0.74 KDM4E (0.61) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL29636817 0.74 KDM4E (0.61) KDM4EMEN1KMT2ANPC1RAB9A

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 claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed