SCHEMBL20079933

SCHEMBL20079933

C=C/C=C\c1c(C)oc2ccc(C(C)C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PFKFB3 Q16875 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ TBK1 Q9UHD2 5/20 0.36
▸ LMNA P02545 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ADRA1A P35348 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
SCHEMBL23430413 0.81 MAPT (0.41) SMN1; SMN2MEN1KMT2AATMLMNA
SCHEMBL24022702 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AATMTP53
SCHEMBL18830876 0.74 KDM4E (0.43) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL20079931 0.72 PFKFB3 (0.34) SMN1; SMN2PFKFB3LMNANPC1RAB9A
SCHEMBL26556924 0.72 PGR (0.41) MEN1KMT2AGAAMAPTPTGS1
SCHEMBL22432379 0.72 MAOB (0.38) SMN1; SMN2MEN1KMT2AATMLMNA
SCHEMBL21755506 0.71 HSP90AA1 (0.33) MEN1KMT2AKDM4EMAPTTNKS
SCHEMBL23866860 0.71 TBK1 (0.41) SMN1; SMN2MEN1KMT2AATMPFKFB3
SCHEMBL3267128 0.71 TBK1 (0.41) SMN1; SMN2MEN1KMT2AATMPFKFB3
SCHEMBL13445420 0.71 TBK1 (0.49) MEN1KMT2AATMPFKFB3PTPN1

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-3312167-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME Idemitsu Kosan Co., Ltd. (JP) 2018-04-25 — — EP disclosed
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