SCHEMBL29384355

SCHEMBL29384355

c1ccc2c(c1)NCCC21CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
PDE7A Q13946 1/20 0.42
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
NR4A1 P22736 2/20 0.34
APAF1 O14727 1/20 0.34
USP2 O75604 1/20 0.34
APP P05067 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SNCA P37840 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL25422577 1.00 KDM1A (0.50) KDM1APDE7ATNKSTNKS2KDM4E
SCHEMBL15523144 0.94 KDM1A (0.51) KDM1APDE7ATNKSTNKS2ALDH1A1
SCHEMBL3934411 0.90 KDM1A (0.55) KDM1APDE7ATNKSTNKS2KDM4E
SCHEMBL397157 0.86 KDM1A (0.51) KDM1ATNKSTNKS2ALDH1A1MEN1
SCHEMBL29386699 0.82 TNKS (0.44) KDM1APDE7ATNKSTNKS2KDM4E
SCHEMBL21537943 0.82 TNKS (0.44) KDM1APDE7ATNKSTNKS2KDM4E
SCHEMBL20469127 0.82 TNKS (0.44) KDM1APDE7ATNKSTNKS2KDM4E
SCHEMBL1795624 0.82 TNKS (0.44) KDM1APDE7ATNKSTNKS2KDM4E
SCHEMBL13209513 0.81 KDM1A (0.47) KDM1APDE7ATNKSTNKS2ALDH1A1
SCHEMBL1828877 0.80 TNKS (0.45) KDM1APDE7ATNKSTNKS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP disclosed
CN-116113698-A TRPML modulators 卡斯玛治疗公司 2023-05-12 CN disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed