SCHEMBL17640357

SCHEMBL17640357

CC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc34)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
PDK2 Q15119 7/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDO2 P48775 1/20 0.32
ACACA Q13085 1/20 0.32
NTSR1 P30989 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
SCHEMBL17425487 0.98 LIMK1 (0.37) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL17425489 0.98 LIMK1 (0.38) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL29985740 0.97 LIMK1 (0.36) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL17425714 0.97 LIMK1 (0.36) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL17640297 0.96 ALOX5 (0.36) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL17640358 0.96 ALOX5 (0.36) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL30021301 0.96 ALOX5 (0.36) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL17640304 0.96 PDK2 (0.36) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL17640306 0.95 ALOX5 (0.36) LIMK1ALOX5MEN1KMT2AALDH1A1
SCHEMBL17640347 0.95 PDK2 (0.37) LIMK1ALOX5MEN1KMT2AALDH1A1

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
US-20170054087-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-02-23 US disclosed
US-20160093808-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-03-31 US disclosed