SCHEMBL6061065

SCHEMBL6061065

N#CC=CC(C=CC#N)=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
ENPP2 Q13822 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AKR1C3 P42330 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PLIN1 O60240 2/20 0.36
PLIN5 Q00G26 2/20 0.36
ABHD5 Q8WTS1 2/20 0.36
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL2710001 0.93 MAPT (0.42) MCL1ALDH1A1ENPP2MAPTLMNA
SCHEMBL307061 0.89 HCAR2 (0.44) MCL1ALDH1A1TSHRRAB9ANPC1
SCHEMBL9960390 0.89 MCL1 (0.39) MCL1ALDH1A1TSHRRAB9APOLB
SCHEMBL5010379 0.88 MCL1 (0.36) MCL1ALDH1A1TSHRRAB9APOLB
SCHEMBL258376 0.88 MCL1 (0.36) MCL1ALDH1A1TSHRRAB9APOLB
SCHEMBL9716997 0.87 ALDH1A1 (0.36) MCL1ALDH1A1TSHRRAB9APOLB
SCHEMBL29885801 0.83 MCL1 (0.43) MCL1ALDH1A1TSHRRAB9APOLB
SCHEMBL3269497 0.83 ALDH1A1 (0.40) MCL1ALDH1A1TSHRRAB9APOLB
SCHEMBL11113773 0.83 RAB9A (0.35) MCL1ALDH1A1TSHRRAB9APOLB
SCHEMBL584735 0.82 ALDH1A1 (0.39) MCL1ALDH1A1TSHRRAB9APOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265961-B1 PROCESS FOR PREPARING THERMOPLASTIC RESIN HAVING SUPERIOR HEAT-STABILITY LG CHEMICAL LTD (KR) 2006-03-15 EP claimed
WO-2021122182-A1 METHOD FOR PRODUCING A MOLDING COMPOUND HAVING IMPROVED SURFACE PROPERTIES COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-06-24 WO disclosed
WO-2021122183-A1 METHOD FOR PRODUCING A MASTER BATCH AND A MOLDING COMPOUND HAVING IMPROVED PROPERTIES COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-06-24 WO disclosed