SCHEMBL23536385

SCHEMBL23536385

Cn1ncc2c(Cl)c([N+](=O)[O-])ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.40
CCR4 P51679 2/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
CREBBP Q92793 1/20 0.37
PKM P14618 1/20 0.37
AKR1B1 P15121 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL21273360 0.81 MAPT (0.38) TDP1MEN1KMT2APOLBLMNA
SCHEMBL30448079 0.81 MAPT (0.38) TDP1MEN1KMT2APOLBLMNA
SCHEMBL30410440 0.78 TDP1 (0.50) TDP1MEN1KMT2APOLBLMNA
SCHEMBL618730 0.78 TDP1 (0.50) TDP1MEN1KMT2APOLBLMNA
SCHEMBL29176019 0.77 TDP1 (0.39) TDP1ATMHTR2AHTR2CHTR2B
SCHEMBL31500757 0.72 L3MBTL1 (0.36) ATMMEN1KMT2ALMNAMAPT
SCHEMBL21273356 0.72 ALDH1A1 (0.44) TDP1MEN1KMT2APOLBHTT
SCHEMBL20015374 0.71 CCR4 (0.39) MEN1KMT2ACCR4MAPTNPSR1
SCHEMBL10596779 0.71 HPRT1 (0.46) TDP1MEN1KMT2APOLBLMNA
SCHEMBL2521727 0.71 MEN1 (0.48) ATMMEN1KMT2APOLBKDM4E

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed