SCHEMBL8871401

SCHEMBL8871401

O=C(O)C1CC(S(=O)(=O)c2ccccc2)C(c2ccccn2)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.35
PTGS2 P35354 1/20 0.35
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KAT6A Q92794 2/20 0.34
LMNA P02545 2/20 0.34
ESR1 P03372 1/20 0.34
PABPC1 P11940 1/20 0.34
PLK1 P53350 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8871412 1.00 P4HTM (0.35) P4HTMPTGS2MMP3MMP8ALDH1A1
SCHEMBL8669917 0.81 MMP3 (0.39) MMP3MMP8ALDH1A1KDM4EHPGD
SCHEMBL8870755 0.76 CYP3A4 (0.37) MMP3MMP8LMNARAB9AALOX15
SCHEMBL8870760 0.76 CYP3A4 (0.37) MMP3MMP8LMNARAB9AALOX15
SCHEMBL8871034 0.76 KMT2A (0.38) MMP3MMP8ALDH1A1HPGDKAT6A
SCHEMBL8666857 0.76 KMT2A (0.38) MMP3MMP8ALDH1A1HPGDKAT6A
Hydrochloric Acid SCHEMBL8666991 0.75 KMT2A (0.37) MMP3MMP8ALDH1A1HPGDKAT6A
SCHEMBL8870976 0.73 MMP2 (0.41) ALDH1A1SMN1; SMN2KAT6ALMNAMEN1
SCHEMBL8870968 0.73 MMP2 (0.41) ALDH1A1SMN1; SMN2KAT6ALMNAMEN1
SCHEMBL6633356 0.72 KDM4E (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 US disclosed