SCHEMBL9535562

SCHEMBL9535562

OCCn1c(NC2CCCNCC2)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.60
NR4A2 P43354 2/20 0.60
MAPK1 P28482 1/20 0.46
CHEK2 O96017 1/20 0.46
SSTR5 P35346 2/20 0.43
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7985049 0.95 KCNH2 (0.65) KCNH2NR4A2MAPK1SSTR5
Fumaric Acid SCHEMBL10384102 0.92 KCNH2 (0.52) KCNH2NR4A2MAPK1CHEK2SSTR5
SCHEMBL9536919 0.84 KCNH2 (0.58) KCNH2NR4A2SSTR5MEN1KMT2A
Oxalic Acid SCHEMBL10384126 0.81 KCNH2 (0.50) KCNH2NR4A2HPGDMEN1KMT2A
Oxalic Acid SCHEMBL10384125 0.81 KCNH2 (0.50) KCNH2NR4A2HPGDMEN1KMT2A
SCHEMBL14173522 0.81 KCNH2 (0.61) KCNH2NR4A2CHEK2SSTR5ALDH1A1
SCHEMBL9534952 0.81 KCNH2 (0.61) KCNH2NR4A2SSTR5HPGDCYP3A4
SCHEMBL7981124 0.81 KCNH2 (0.61) KCNH2NR4A2SSTR5CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9631298 0.80 KCNH2 (0.90) KCNH2NR4A2SSTR5MEN1CYP3A4
SCHEMBL13319057 0.80 KCNH2 (0.63) KCNH2NR4A2SSTR5HPGDCYP2C19

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
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed