SCHEMBL29636665

SCHEMBL29636665

NCCC(N)c1cc(C2=CCCCC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GRM2 Q14416 1/20 0.40
KDM1A O60341 2/20 0.38
MAPK1 P28482 1/20 0.35
ATR Q13535 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CSF1R P07333 1/20 0.33
ACHE P22303 4/20 0.32

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
SCHEMBL23015098 1.00 ELANE (0.42) ELANETDP1GRM2KDM1AMAPK1
SCHEMBL23015298 0.81 SIGMAR1 (0.40) KDM4EALDH1A1
SCHEMBL29874793 0.81 SIGMAR1 (0.40) KDM4EALDH1A1
SCHEMBL29636738 0.74 SLC2A1 (0.51) ACHE
SCHEMBL23015129 0.74 SLC2A1 (0.51) ACHE
SCHEMBL29219443 0.74 ELANE (0.49) ELANETDP1GRM2KDM1AMAPK1
SCHEMBL28967175 0.72 KDM4E (0.52) TDP1MAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL29636671 0.72 KDM4E (0.52) TDP1MAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL23015344 0.71 GRM2 (0.46) GRM2KDM1AMAPK1KDM4EALDH1A1
SCHEMBL29636726 0.71 GRM2 (0.46) GRM2KDM1AMAPK1KDM4EALDH1A1

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
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