SCHEMBL17640472

SCHEMBL17640472

CC1(C)c2ccccc2-c2ccc(-c3ccc4sc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cccc5c4c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
LIMK1 P53667 1/20 0.33
PIM3 Q86V86 2/20 0.32
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
ROCK1 Q13464 1/20 0.32
PRKDC P78527 1/20 0.32
PDK2 Q15119 6/20 0.32
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
KMT2A Q03164 2/20 0.30
MAP3K8 P41279 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL17640364 1.00 ALOX5 (0.40) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL17425600 0.96 ALOX5 (0.39) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22700516 0.93 ALOX5 (0.40) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL17640301 0.93 ALOX5 (0.36) ALOX5LIMK1PDK2MEN1ALDH1A1
SCHEMBL18904414 0.92 ALOX5 (0.43) ALOX5LIMK1PRKDCPDK2MAPT
SCHEMBL17640340 0.92 LIMK1 (0.34) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL24129699 0.92 ALOX5 (0.35) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22700514 0.92 ALOX5 (0.40) ALOX5LIMK1PRKDCMEN1ALDH1A1
SCHEMBL17640307 0.92 PDK2 (0.36) ALOX5LIMK1PDK2MEN1ALDH1A1
SCHEMBL17425707 0.92 PDK2 (0.36) ALOX5LIMK1PDK2MEN1ALDH1A1

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