SCHEMBL9849005

SCHEMBL9849005

O=C(NCl)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.61
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
NR4A1 P22736 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CAPN1 P07384 1/20 0.49
CDC25B P30305 2/20 0.48
ATM Q13315 1/20 0.48
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
CDC25A P30304 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL30930714 0.85 POLB (0.50) GAATDP1ALDH1A1KMT2ALMNA
SCHEMBL700595 0.82 AKR1C3 (0.85) AKR1C3MAPTGAANR4A1TDP1
SCHEMBL29447165 0.82 AKR1C3 (0.85) AKR1C3MAPTGAANR4A1TDP1
SCHEMBL11208433 0.82 AKR1C3 (0.63) AKR1C3MAPTGAANR4A1TDP1
SCHEMBL11504870 0.82 AKR1C3 (0.63) AKR1C3MAPTGAANR4A1TDP1
SCHEMBL1781812 0.81 ALDH1A1 (0.64) AKR1C3MAPTGAAALDH1A1KMT2A
Fluoride SCHEMBL28319246 0.80 AKR1C3 (0.81) AKR1C3MAPTGAANR4A1TDP1
SCHEMBL28883310 0.80 AKR1C3 (0.81) AKR1C3MAPTGAANR4A1TDP1
SCHEMBL1013691 0.80 AKR1C3 (0.61) AKR1C3MAPTGAANR4A1TDP1
SCHEMBL9849004 0.79 RAB9A (0.62) MAPTTDP1ALDH1A1ATMKMT2A

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
EP-0458197-A2 Use of N-haloamides as photoinitiators for free-radical polymerizations MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-11-27 EP disclosed