SCHEMBL28621905

SCHEMBL28621905

CCC(=O)OSc1cnnc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PRNP P04156 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ ABCB1 P08183 1/20 0.34

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
SCHEMBL22345507 0.75 RXFP1 (0.55) KDM4EKMT2APRNPPOLBRXFP1
SCHEMBL22345556 0.69 PKM (0.52) CYP1A2LMNACYP2D6HIF1ATDP1
SCHEMBL9114839 0.68 GPR3 (0.46) CYP1A2LMNACYP2D6HIF1ATDP1
SCHEMBL10741962 0.67 TSHR (0.54) LMNAKDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL29974108 0.67 CES2 (0.44) LMNAKDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL13134314 0.66 THRB (0.42) CYP1A2LMNACYP2D6HIF1ATDP1
SCHEMBL22345389 0.66 KDM4E (0.49) CYP1A2KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL22345550 0.65 PRNP (0.44) CYP1A2LMNACYP2D6HIF1ATDP1
SCHEMBL10759425 0.65 MAPT (0.56) CYP1A2CYP2D6HIF1ATDP1KDM4E
SCHEMBL10736752 0.65 ALDH1A1 (0.57) LMNATDP1KDM4EMAPTKMT2A

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
CN-113423694-A Cinnolinium compounds for use in a method for controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-21 — — CN disclosed
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