SCHEMBL20058313

SCHEMBL20058313

C=Cc1ccc(Cn2c(=C)c3ccccc3c2=C)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ PSMD14 O00487 1/20 0.51
▸ POLB P06746 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ P2RX4 Q99571 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ THRB P10828 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
SCHEMBL30681661 0.82 CYP19A1 (0.63) LMNAPSMD14POLBCA1CA2
SCHEMBL955942 0.82 CYP19A1 (0.63) LMNAPSMD14POLBCA1CA2
SCHEMBL29405472 0.82 CYP19A1 (0.63) LMNAPSMD14POLBCA1CA2
SCHEMBL1223439 0.80 P2RX4 (0.68) LMNAPSMD14POLBMAPTALDH1A1
SCHEMBL22700981 0.77 LMNA (0.53) LMNAPSMD14POLBTP53MAPT
SCHEMBL20806246 0.75 CA12 (0.54) LMNAPSMD14POLBCA1CA2
SCHEMBL19941907 0.75 P2RX4 (0.42) CA1CA2CYP19A1L3MBTL1P2RX4
SCHEMBL28337505 0.75 LMNA (0.51) LMNAPSMD14TP53MAPTALDH1A1
SCHEMBL17457937 0.73 PSMD14 (0.53) LMNAPSMD14POLBTP53MAPT
SCHEMBL16627135 0.71 PSMD14 (0.51) LMNAPSMD14TP53MAPTCYP19A1

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-3078691-B1 BLOCK COPOLYMER LG CHEMICAL LTD (KR) 2018-04-18 — — EP disclosed
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