SCHEMBL7299899

SCHEMBL7299899

CCCCN(C)CCc1cccc2nsnc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 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
Bromide SCHEMBL10413107 0.99 TSHR (0.44) TSHRKMT2APOLBMEN1KDM4E
SCHEMBL28957583 0.82 MEN1 (0.47) TSHRKMT2APOLBMEN1KDM4E
SCHEMBL12844407 0.80 MAPT (0.48) TSHRKMT2APOLBMEN1KDM4E
SCHEMBL762893 0.73 KMT2A (0.56) TSHRKMT2APOLBMEN1KDM4E
SCHEMBL14944881 0.72 KDM4E (0.55) TSHRKMT2APOLBMEN1KDM4E
SCHEMBL7300063 0.69 SIGMAR1 (0.44)
SCHEMBL20780757 0.68 HSD17B10 (0.42) TSHRKMT2APOLBMEN1KDM4E
SCHEMBL25399698 0.67 MAPT (0.57) TSHRKMT2APOLBMEN1KDM4E
SCHEMBL7718402 0.67 KDM4E (0.52) TSHRKMT2APOLBMEN1KDM4E
SCHEMBL4678156 0.67 KDM4E (0.52) TSHRKMT2APOLBMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304789-B1 BENZIMIDAZOLE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-17 EP disclosed
EP-0304789-A2 Benzimidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-01 EP disclosed