SCHEMBL7657600

SCHEMBL7657600

O=S(=O)(Cl)c1ccc(Oc2ccc(-n3cccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
BLM P54132 1/20 0.49
LMNA P02545 5/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 5/20 0.41
SOS1 Q07889 1/20 0.41
LTA4H P09960 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
XBP1 P17861 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
SCHEMBL7660833 0.83 CYP1A2 (0.50) ALDH1A1MAPTTDP1LMNAHSD17B10
Hydrochloric Acid SCHEMBL7657604 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL433497 0.81 HTT (0.58) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL9720036 0.81 HTT (0.58) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL7657342 0.81 CA1 (0.52) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL7657790 0.78 NOTUM (0.51) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL9536733 0.77 SOS1 (0.64) ALDH1A1KMT2ATDP1KDM4ELMNA
SCHEMBL31244 0.77 SOS1 (0.64) ALDH1A1KMT2ATDP1KDM4ELMNA
SCHEMBL7650969 0.77 ALOX15 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7658197 0.77 ALOX15 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E

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
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed