SCHEMBL18889295

SCHEMBL18889295

C=C(C)c1ccc(C)c(-c2cccnc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ PLA2G7 Q13093 5/20 0.41
▸ TDO2 P48775 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.36
▸ BRPF1 P55201 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ CECR2 Q9BXF3 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ BRD7 Q9NPI1 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ VHL P40337 1/20 0.33
▸ POLQ O75417 1/20 0.33
▸ PIP4K2A P48426 1/20 0.33
▸ PIP4K2C Q8TBX8 1/20 0.33

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
SCHEMBL18888856 0.80 PLA2G7 (0.51) PLA2G7ABL1PDGFRA
SCHEMBL30105652 0.77 LMNA (0.43) PLA2G7ABL1PDGFRAMAPK14
SCHEMBL10319805 0.77 LMNA (0.43) PLA2G7ABL1PDGFRAMAPK14
SCHEMBL10304971 0.75 TDO2 (0.56) MKNK1MKNK2PLA2G7TDO2ABL1
SCHEMBL31469002 0.73 MKNK1 (0.52) MKNK1MKNK2TDO2ABL1TSHR
SCHEMBL3421959 0.73 MKNK1 (0.52) MKNK1MKNK2TDO2ABL1TSHR
SCHEMBL18889770 0.73 ACHE (0.42) PLA2G7ABL1PDGFRATSHRHTT
SCHEMBL9963986 0.72 NOS3 (0.46) MKNK1MKNK2PLA2G7TDO2TSHR
SCHEMBL2220714 0.71 NR1H4 (0.41) PLA2G7ABL1PDGFRA
SCHEMBL21864313 0.70 KDM4C (0.49) TSHR

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-2928884-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma AG (DE) 2017-05-24 — — EP disclosed
Send feedback