SCHEMBL20853272

SCHEMBL20853272

CCCCn1c(C)cc2ccc(CC)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PGR P06401 3/20 0.46
▸ RORA P35398 2/20 0.46
▸ RORC P51449 2/20 0.46
▸ RORB Q92753 2/20 0.46
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ CNR2 P34972 2/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL30628011 0.78 MEN1 (0.64) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL4220374 0.78 MEN1 (0.64) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL19526836 0.75 HTR7 (0.57) PGRRORARORCRORBPSEN1
SCHEMBL6326696 0.73 MEN1 (0.58) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL30151601 0.73 MEN1 (0.58) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL4212491 0.72 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL10413247 0.72 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL11607923 0.72 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL9275476 0.72 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL11605849 0.72 MEN1 (0.56) KDM4EMEN1KMT2AALDH1A1GAA

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
WO-2019058393-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-03-28 — — WO disclosed
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