SCHEMBL11113773

SCHEMBL11113773

Cc1ccccc1C=CC(C=CC#N)=Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
KDM4E B2RXH2 3/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 6/20 0.33
MAPT P10636 4/20 0.33
TSHR P16473 2/20 0.33
EGFR P00533 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32
TTR P02766 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL2710001 0.83 MAPT (0.42) ALDH1A1MAPTMMP1MMP2MMP9
SCHEMBL6061065 0.83 MCL1 (0.43) RAB9AKDM4EALDH1A1MAPTTSHR
SCHEMBL6272123 0.75 ALDH1A1 (0.50) RAB9AKDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL9716997 0.75 ALDH1A1 (0.36) RAB9AALDH1A1MAPTTSHRMCL1
SCHEMBL307061 0.74 HCAR2 (0.44) RAB9AALDH1A1MAPTTSHRMCL1
SCHEMBL1229938 0.74 ALDH1A1 (0.46) RAB9AKDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL1229940 0.74 ALDH1A1 (0.46) RAB9AKDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL9960390 0.73 MCL1 (0.39) RAB9AKDM4EALDH1A1MAPTTSHR
SCHEMBL258376 0.73 MCL1 (0.36) RAB9AALDH1A1MAPTTSHRMCL1
SCHEMBL5010379 0.73 MCL1 (0.36) RAB9AALDH1A1MAPTTSHRMCL1

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
EP-0111260-A1 Thermoplastic moulding masses BASF Aktiengesellschaft (DE) 1984-06-20 EP disclosed