SCHEMBL28244754

SCHEMBL28244754

O=C(Br)c1cccnc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
EGFR P00533 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GFER P55789 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL950218 0.83 LMNA (0.73) LMNASMN1; SMN2POLBL3MBTL1EGFR
SCHEMBL353141 0.81 SMN1; SMN2 (1.00) LMNASMN1; SMN2POLBL3MBTL1EGFR
SCHEMBL105459 0.81 SMN1; SMN2 (0.70) LMNASMN1; SMN2POLBL3MBTL1EGFR
SCHEMBL29412848 0.81 SMN1; SMN2 (1.00) LMNASMN1; SMN2POLBL3MBTL1EGFR
SCHEMBL29799007 0.81 SMN1; SMN2 (0.70) LMNASMN1; SMN2POLBL3MBTL1EGFR
SCHEMBL17180592 0.81 LMNA (0.70) LMNASMN1; SMN2POLBL3MBTL1EGFR
SCHEMBL30792459 0.81 SMN1; SMN2 (1.00) LMNASMN1; SMN2POLBL3MBTL1EGFR
Hydrochloric Acid SCHEMBL2683707 0.79 SMN1; SMN2 (0.68) LMNASMN1; SMN2POLBL3MBTL1EGFR
SCHEMBL5250407 0.79 SMN1; SMN2 (0.96) LMNASMN1; SMN2POLBL3MBTL1EGFR
SCHEMBL38770 0.79 SMN1; SMN2 (0.68) LMNASMN1; SMN2POLBL3MBTL1EGFR

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-108602799-A A kind of kinase inhibitor 上海复尚慧创医药研究有限公司 2018-09-28 CN disclosed