SCHEMBL23536629

SCHEMBL23536629

COC(=O)C(c1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.40
G6PD P11413 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 2/20 0.39
APP P05067 1/20 0.39
CYP1A2 P05177 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PHGDH O43175 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8102532 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL624054 0.73 ALDH1A1 (0.64) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7684242 0.73 ALDH1A1 (0.64) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28254105 0.73 ALDH1A1 (0.72) ALDH1A1MAPTKMT2ANPSR1PKM
SCHEMBL29923915 0.72 ALDH1A1 (1.00) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL12788041 0.72 ALDH1A1 (1.00) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL14992158 0.72 EPAS1 (0.47) ALDH1A1MAPTLMNAKDM4ECRHBP
SCHEMBL7673660 0.72 ALDH1A1 (0.62) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL948375 0.72 ALDH1A1 (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11577833 0.72 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed