SCHEMBL20469814

SCHEMBL20469814

C=CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 11/20 0.59
▸ LMNA P02545 2/20 0.59
▸ F13A1 P00488 2/20 0.59
▸ TGM1 P22735 2/20 0.59
▸ TGM3 Q08188 1/20 0.59
▸ MAPT P10636 2/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ LPAR2 Q9HBW0 1/20 0.50
▸ LPAR3 Q9UBY5 1/20 0.50
▸ TDP2 O95551 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ KDR P35968 1/20 0.47
▸ TEK Q02763 1/20 0.47
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46

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
SCHEMBL7785803 0.94 TGM2 (0.66) TGM2LMNAF13A1TGM1TGM3
SCHEMBL6481884 0.94 TGM2 (0.66) TGM2LMNAF13A1TGM1TGM3
SCHEMBL29054310 0.94 TGM2 (0.66) TGM2LMNAF13A1TGM1TGM3
Acetic Acid SCHEMBL11194307 0.87 TGM2 (0.62) TGM2LMNAF13A1TGM1TGM3
Dioxane SCHEMBL29080479 0.84 TGM2 (0.54) TGM2LMNAF13A1TGM1TGM3
SCHEMBL439369 0.84 TGM2 (0.79) TGM2LMNAF13A1TGM1TGM3
SCHEMBL1383664 0.83 TGM2 (0.78) TGM2LMNAF13A1TGM1TGM3
SCHEMBL964754 0.83 TGM2 (0.64) TGM2LMNAF13A1TGM1TGM3
Pyridine SCHEMBL27849477 0.82 TGM2 (0.59) TGM2LMNAF13A1TGM1TGM3
Aniline SCHEMBL28025728 0.81 TGM2 (0.81) TGM2LMNAF13A1TGM1TGM3

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
WO-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 — — WO disclosed
CN-105683257-B Addition-fragmentation oligomers containing allyl disulfide 3M创新有限公司 2018-02-13 — — CN disclosed
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