SCHEMBL11164168

SCHEMBL11164168

C=CCn1c(C(=O)O)c(I)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 3/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL11163344 0.81 KDM4E (0.47) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL11164165 0.75 ADORA3 (0.41) KDM4EALDH1A1HTTGAAMEN1
Potassium Ion SCHEMBL11163325 0.75 KDM4E (0.44) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL11158593 0.75 KDM4E (0.52) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL157928 0.67 CYP3A4 (0.71) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL26948701 0.67 ALOX15 (0.40) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL5449552 0.66 CYP3A4 (0.50) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL11077876 0.66 CYP3A4 (0.68) KDM4EALDH1A1HTTGAAMEN1
SCHEMBL181982 0.66 CYP3A4 (0.54) KDM4EALDH1A1HTTGAAMEN1
Potassium SCHEMBL31665920 0.64 CYP3A4 (0.52) KDM4EALDH1A1HTTGAAMEN1

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
US-4400508-A AGRICULTURE; PLANT DISEASES; ANTISEPTICS UBE INDUSTRIES, LTD. (JP) 1983-08-23 — — US claimed
EP-0052341-A1 Orotic acid derivatives and their use as agricultural chemicals UBE INDUSTRIES, LTD. (JP) 1982-05-26 — — EP claimed
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