SCHEMBL23536369

SCHEMBL23536369

Cc1nn(C)c(C2=CCN(c3ccc(Cl)cc3F)CC2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 4/20 0.37
PKM P14618 2/20 0.37
RPS6KB1 P23443 1/20 0.35
DRD4 P21917 1/20 0.35
GRM2 Q14416 1/20 0.35
PROKR1 Q8TCW9 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PHGDH O43175 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
FPR2 P25090 1/20 0.33

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
SCHEMBL29931958 0.83 DRD4 (0.38) ALDH1A1DRD4GRM2PROKR1PHGDH
SCHEMBL23536237 0.83 DRD4 (0.38) ALDH1A1DRD4GRM2PROKR1PHGDH
SCHEMBL29932053 0.79 RPS6KB1 (0.45) ALDH1A1MAPTKMT2ALMNARPS6KB1
SCHEMBL23536271 0.79 RPS6KB1 (0.45) ALDH1A1MAPTKMT2ALMNARPS6KB1
SCHEMBL29932049 0.77 PHGDH (0.39) MAPTKMT2ALMNADRD4GRM2
SCHEMBL23536190 0.77 PHGDH (0.39) MAPTKMT2ALMNADRD4GRM2
SCHEMBL29932109 0.76 MAPT (0.37) ALDH1A1MAPTKMT2ALMNAPROKR1
SCHEMBL23536527 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL29931935 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ALMNAMAPK1
SCHEMBL29932026 0.74 SIGMAR1 (0.36) DRD4GRM2PROKR1PHGDHFPR2

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