SCHEMBL22701855

SCHEMBL22701855

Clc1cccc2c1sc1ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.45
ALOX5 P09917 1/20 0.38
PIM3 Q86V86 3/20 0.38
SMO Q99835 1/20 0.38
ESR2 Q92731 1/20 0.38
PIM1 P11309 3/20 0.37
PIM2 Q9P1W9 3/20 0.37
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
RORB Q92753 2/20 0.35
ROCK1 Q13464 1/20 0.34
PLAU P00749 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F9 P00740 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
SCHEMBL22701898 0.98 LIMK1 (0.46) LIMK1ALOX5PIM3SMOESR2
SCHEMBL25567737 0.97 LIMK1 (0.47) LIMK1ALOX5PIM3SMOESR2
SCHEMBL22701806 0.97 LIMK1 (0.47) LIMK1ALOX5PIM3SMOESR2
SCHEMBL22195787 0.89 LIMK1 (0.42) LIMK1PIM3PIM1PIM2RORB
SCHEMBL24787556 0.88 ALOX5 (0.40) LIMK1ALOX5PIM3PIM1PIM2
SCHEMBL20041175 0.88 ALOX5 (0.47) LIMK1ALOX5PIM3TNKSTNKS2
SCHEMBL25567688 0.88 LIMK1 (0.40) LIMK1ALOX5PIM3SMOESR2
SCHEMBL24969220 0.86 LIMK1 (0.48) LIMK1PIM3ESR2PIM1PIM2
SCHEMBL24969649 0.84 LIMK1 (0.47) LIMK1ALOX5SMOESR2TNKS
SCHEMBL21302786 0.84 LIMK1 (0.39) LIMK1ALOX5PIM3PIM1PIM2

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-2020235955-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed