SCHEMBL18021976

SCHEMBL18021976

COC(=O)c1nc(N)[nH]c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.52
▸ TSHR P16473 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PKM P14618 3/20 0.36
▸ ERCC1 P07992 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL394176 0.77 NPSR1 (0.44) NPSR1TSHRKDM4CKDM4ESMN1; SMN2
SCHEMBL8951086 0.70 NPSR1 (1.00) NPSR1TSHRKDM4CKDM4ESMN1; SMN2
SCHEMBL1009945 0.68 KDM4C (0.52) NPSR1TSHRKDM4CKDM4ESMN1; SMN2
SCHEMBL5433655 0.68 NPSR1 (0.46) NPSR1TSHRKDM4CKDM4ESMN1; SMN2
SCHEMBL29977899 0.67 NPSR1 (0.56) NPSR1KDM4CKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16418573 0.67 NPSR1 (0.56) NPSR1KDM4CKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11089588 0.67 KDM4C (0.50) NPSR1TSHRKDM4CKDM4ESMN1; SMN2
SCHEMBL13279753 0.67 ALDH1A1 (0.41) NPSR1TSHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4714263 0.65 KDM4C (0.49) NPSR1TSHRKDM4CKDM4ESMN1; SMN2
SCHEMBL6617911 0.65 NPSR1 (0.48) NPSR1KDM4ESMN1; SMN2ALDH1A1HPGD

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
WO-2016128298-A1 SUBSTITUTED 2-THIOIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 — — WO disclosed
Send feedback