SCHEMBL9501822

SCHEMBL9501822

CC(C)=CCC/C(C)=C/Cn1cnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.46
LMNA P02545 3/20 0.44
PKM P14618 1/20 0.44
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
TNF P01375 1/20 0.43
APAF1 O14727 1/20 0.43
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
FDPS P14324 2/20 0.42
MAPK1 P28482 2/20 0.41
GGPS1 O95749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL9501830 1.00 TDP1 (0.47) TDP1EGLN3LMNAPKMCYP11B1
SCHEMBL9730522 1.00 TDP1 (0.47) TDP1EGLN3LMNAPKMCYP11B1
SCHEMBL9745498 0.87 TDP1 (0.58) TDP1EGLN3LMNAPKMCYP11B1
SCHEMBL9729569 0.80 MTNR1A (0.51) TDP1HTTMAPK1KDM4E
Oxalic Acid SCHEMBL9729957 0.76 MTNR1A (0.52) HTTMAPK1KDM4E
SCHEMBL10639930 0.76 LMNA (0.48) LMNAPKMTNFAPAF1HTT
SCHEMBL10639923 0.76 LMNA (0.48) LMNAPKMTNFAPAF1HTT
Hydrogen Sulfide SCHEMBL28800554 0.75 TDP1 (0.58) TDP1EGLN3LMNACYP11B1CYP11B2
SCHEMBL5144238 0.75 LMNA (0.44) LMNATNFSMN1; SMN2MAPK1KMT2A
SCHEMBL13894437 0.75 SLC9A1 (0.48) EGLN3APAF1KDM4ENPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
US-5106863-A Antiulcer agents, gastrointestinal disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-04-21 US disclosed
EP-0132606-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
US-4612323-A Insecticidal and acaricidal derivatives of 1-benzylbenzimidazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0132606-A1 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-13 EP disclosed