SCHEMBL11355669

SCHEMBL11355669

CSC(=Nc1cc(Cl)ccc1Cl)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
SIGMAR1 Q99720 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
FSCN1 Q16658 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11356052 0.74 ATM (0.37) EPHX1SIGMAR1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL3418772 0.69 SIGMAR1 (0.50) SIGMAR1MEN1KMT2ATDP1HSD17B10
SCHEMBL11355662 0.68 MEN1 (0.51) EPHX1MEN1KMT2AGAAMAPT
SCHEMBL11355667 0.68 MEN1 (0.51) EPHX1MEN1KMT2AGAAMAPT
SCHEMBL11356919 0.66 PLAU (0.51) SIGMAR1MEN1KMT2AMAPTHSD17B10
SCHEMBL11361810 0.65 SMN1; SMN2 (0.43) SIGMAR1SMN1; SMN2GAAMAPTRAB9A
SCHEMBL11883551 0.64 HTR3E (0.57) SIGMAR1TDP1HSD17B10ALDH1A1TP53
SCHEMBL27899476 0.63 MAPT (0.41) EPHX1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL11358962 0.62 NOS3 (0.40) SIGMAR1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2388970 0.62 EPHX1 (0.70) EPHX1SMN1; SMN2MEN1KMT2AGAA

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
US-4290971-A HYPOTENSIVE AGENTS DSO "PHARMACHIM" (BG) 1981-09-22 US claimed
US-4290971-A HYPOTENSIVE AGENTS DSO "PHARMACHIM" (BG) 1981-09-22 US disclosed