SCHEMBL8019487

SCHEMBL8019487

Cc1ccc(C)c(NC2=C(C#N)CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.44
ALDH1A1 P00352 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 4/20 0.38
HTT P42858 1/20 0.38
TNF P01375 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX12 P18054 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8018788 0.88 MAPT (0.48) MAPTLMNARAPGEF4ALDH1A1KDM4E
SCHEMBL8015467 0.81 LMNA (0.50) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL8017392 0.78 MAPT (0.71) MAPTLMNARAPGEF4ALDH1A1GAA
SCHEMBL8015787 0.76 LMNA (0.48) MAPTLMNARAPGEF4ALDH1A1GAA
SCHEMBL8006080 0.74 LMNA (0.57) MAPTLMNARAPGEF4ALDH1A1MAPK1
SCHEMBL29196035 0.70 RAPGEF4 (0.71) MAPTRAPGEF4ALDH1A1GAAKDM4E
SCHEMBL8019313 0.70 MAPT (0.48) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL8022779 0.69 MAPT (0.50) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL8022790 0.69 LMNA (0.50) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL29152731 0.68 NPC1 (0.45) MAPTLMNAALDH1A1GAAKDM4E

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
US-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed