SCHEMBL23536271

SCHEMBL23536271

Cc1nn(C)c(N2CCN(c3ccc(Cl)cc3F)CC2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.45
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD4 P21917 1/20 0.41
GRM2 Q14416 1/20 0.41
RAB9A P51151 2/20 0.40
THRB P10828 1/20 0.40
PAX8 Q06710 1/20 0.40
PHGDH O43175 2/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 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
SCHEMBL29932053 1.00 RPS6KB1 (0.45) RPS6KB1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL23536606 0.80 POLB (0.45) ALDH1A1MAPK1LMNAMAPTPOLB
SCHEMBL29932044 0.80 POLB (0.45) ALDH1A1MAPK1LMNAMAPTPOLB
SCHEMBL23536369 0.79 ALDH1A1 (0.38) RPS6KB1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL29932151 0.73 KMT2A (0.44) ALDH1A1LMNAMAPTSMN1; SMN2PHGDH
SCHEMBL952179 0.72 EBP (0.42) ALDH1A1MAPK1L3MBTL1LMNAMAPT
SCHEMBL952180 0.72 EBP (0.42) ALDH1A1MAPK1L3MBTL1LMNAMAPT
SCHEMBL8275465 0.70 POLB (0.65) ALDH1A1L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL23536198 0.68 GRM2 (0.40) ALDH1A1LMNAPOLBDRD4GRM2
SCHEMBL23536434 0.67 DRD4 (0.47) ALDH1A1MAPK1LMNAMAPTPOLB

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
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