SCHEMBL10828201

SCHEMBL10828201

C=CCSc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
TDP1 Q9NUW8 5/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 5/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE7A Q13946 1/20 0.36
MPI P34949 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL11124749 0.88 TDP1 (0.49) KMT2ATDP1MEN1MAPTPOLB
SCHEMBL11484267 0.81 TDP1 (0.45) KMT2ATDP1MEN1MAPTPOLB
SCHEMBL18815092 0.80 TSHR (0.54) KMT2ATDP1MEN1MAPTPOLB
SCHEMBL10652156 0.77 MAPT (0.55) KMT2ATDP1MEN1MAPTPOLB
SCHEMBL11633022 0.77 TSHR (0.51) KMT2ATDP1MEN1MAPTPOLB
SCHEMBL8515801 0.77 MAPT (0.57) KMT2ATDP1MEN1MAPTPOLB
SCHEMBL10827907 0.77 ALDH1A1 (0.36) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL28506022 0.77 TDP1 (0.62) KMT2ATDP1MEN1MAPTPOLB
SCHEMBL11526384 0.76 TSHR (0.50) KMT2ATDP1MEN1MAPTPOLB
SCHEMBL11326081 0.76 TSHR (0.50) KMT2ATDP1MEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599428-A SALT FORMATION, THIOETHERIFICATION CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1986-07-08 US disclosed
US-4473697-A WITH GASEOUS CHLORINE AND A RHODANIDE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1984-09-25 US disclosed
EP-0027646-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1984-03-07 EP disclosed
EP-0027646-A1 Process for the preparation of benzimidazole derivatives CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1981-04-29 EP disclosed
US-4072696-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1978-02-07 US disclosed