SCHEMBL11705286

SCHEMBL11705286

CNC(=O)n1c(NC(=O)OC)nc2cc([S+]([O-])c3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
KDR P35968 2/20 0.32
ABCC4 O15439 1/20 0.32
USP2 O75604 1/20 0.32
ABL1 P00519 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL11767592 0.91 ALDH1A1 (0.47) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL11766715 0.90 ALDH1A1 (0.42) ALDH1A1TSHRHPGDHSD17B10HDAC6
SCHEMBL11766297 0.89 ALDH1A1 (0.55) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL11767478 0.87 TSHR (0.61) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL11765127 0.87 ALDH1A1 (0.51) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL11767782 0.85 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2APKM
SCHEMBL11766972 0.85 TSHR (0.70) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL11766501 0.84 ALDH1A1 (0.65) ALDH1A1TSHRHTTASAH1
SCHEMBL11773243 0.84 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL202952 0.80 ALDH1A1 (0.68) ALDH1A1TSHRHTTMEN1KMT2A

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
US-4031234-A 1,5(6)-Disubstituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1977-06-21 US claimed
US-4031234-A 1,5(6)-Disubstituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1977-06-21 US disclosed
US-3993769-A 1,5(6)-Disubstituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1976-11-23 US disclosed