SCHEMBL23328490

SCHEMBL23328490

c1ccc2c(c1)sc1ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4sc4ccccc45)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
GPR3 P46089 1/20 0.39
LIMK1 P53667 1/20 0.36
PTGIR P43119 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIM3 Q86V86 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DHODH Q02127 1/20 0.32
PTPN7 P35236 1/20 0.32

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
SCHEMBL12283453 0.97 LIMK1 (0.40) ALOX5GPR3LIMK1PTGIRMAPT
SCHEMBL15964387 0.97 LIMK1 (0.40) ALOX5GPR3LIMK1PTGIRMAPT
SCHEMBL15964386 0.97 LIMK1 (0.40) ALOX5GPR3LIMK1PTGIRMAPT
SCHEMBL15964379 0.97 ALOX5 (0.40) ALOX5GPR3LIMK1PTGIRMAPT
SCHEMBL12960056 0.95 LIMK1 (0.39) ALOX5GPR3LIMK1PTGIRMAPT
SCHEMBL19596516 0.94 LIMK1 (0.38) ALOX5GPR3LIMK1PTGIRMAPT
SCHEMBL17369977 0.94 ALOX5 (0.38) ALOX5GPR3LIMK1PTGIRMAPT
SCHEMBL17370046 0.93 LIMK1 (0.38) ALOX5GPR3LIMK1PTGIRMAPT
SCHEMBL23313487 0.93 LIMK1 (0.38) ALOX5GPR3LIMK1PTGIRMAPT
SCHEMBL23313562 0.93 LIMK1 (0.38) ALOX5GPR3LIMK1PTGIRMAPT

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-2021085817-A2 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2021-05-06 WO disclosed