SCHEMBL23536201

SCHEMBL23536201

O=[N+]([O-])c1ccccc1N1CCC(C2COCCO2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
KMT2A Q03164 3/20 0.49
CTSB P07858 1/20 0.43
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 8/20 0.42
MAPT P10636 7/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MITF O75030 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 2/20 0.40
GRM5 P41594 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL29932080 1.00 HTT (0.49) HTTKMT2ACTSBHSD11B1ALDH1A1
SCHEMBL23536119 0.79 GAA (0.51) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL2206983 0.76 CTSB (0.68) HTTKMT2ACTSBALDH1A1MAPT
SCHEMBL30779614 0.76 CTSB (0.68) HTTKMT2ACTSBALDH1A1MAPT
SCHEMBL3435490 0.75 CTSB (0.52) HTTKMT2ACTSBALDH1A1MAPT
SCHEMBL23043784 0.74 HTT (0.54) HTTKMT2ACTSBHSD11B1ALDH1A1
SCHEMBL1274938 0.74 HTT (0.73) HTTKMT2ACTSBHSD11B1ALDH1A1
SCHEMBL23536471 0.74 HTT (0.48) HTTKMT2ACTSBALDH1A1MAPT
SCHEMBL29948611 0.74 HTT (0.48) HTTKMT2ACTSBALDH1A1MAPT
SCHEMBL3436179 0.74 KMT2A (0.56) HTTKMT2AHSD11B1ALDH1A1MAPT

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-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed