SCHEMBL7794757

SCHEMBL7794757

O=C(SCCCCCSC(=O)c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 3/20 0.54
KCNJ1 P48048 2/20 0.54
LMNA P02545 1/20 0.54
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
PKM P14618 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
POLB P06746 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
PRMT1 Q99873 1/20 0.51
GCGR P47871 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49

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
SCHEMBL7794756 0.90 ALDH1A1 (0.44) MAPTALDH1A1KCNJ1LMNAPLA2G1B
SCHEMBL27447055 0.80 ALDH1A1 (0.63) MAPTALDH1A1KCNJ1LMNAPLA2G1B
SCHEMBL7794740 0.80 HRH4 (0.52) MAPTALDH1A1TDP1POLBKMT2A
SCHEMBL7792323 0.80 PIN1 (0.61) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL3640534 0.79 ALDH1A1 (0.61) MAPTALDH1A1KCNJ1LMNAPLA2G1B
SCHEMBL3935171 0.79 ALDH1A1 (0.61) MAPTALDH1A1KCNJ1LMNAPLA2G1B
Hydrochloric Acid SCHEMBL7794721 0.79 HRH4 (0.51) MAPTALDH1A1PKMTDP1KMT2A
SCHEMBL7792099 0.78 CHEK2 (0.45) ALDH1A1PKMPOLBKMT2AKDM4E
SCHEMBL7796362 0.77 EGLN1 (0.57) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL7796289 0.77 PIN1 (0.64) MAPTALDH1A1PKMPOLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742210-B1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2001-11-21 EP disclosed
US-5962493-A HYPOLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1999-10-05 US disclosed
EP-0742210-A1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-11-13 EP disclosed