SCHEMBL5230976

SCHEMBL5230976

CC(=CC(=C(C#N)C#N)N1CCCN(c2ccccc2)CC1)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 2/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL5230967 1.00 AKR1C3 (0.42) AKR1C3MEN1KMT2AMAPTHTT
SCHEMBL5230594 0.95 MEN1 (0.45) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL5230601 0.95 MEN1 (0.45) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL5230605 0.95 MEN1 (0.45) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL5236079 0.85 CDK8 (0.46) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL5236086 0.85 CDK8 (0.46) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL5234409 0.79 AKR1C3 (0.50) AKR1C3MEN1KMT2AMAPTHTT
SCHEMBL5235406 0.78 ALDH1A1 (0.36) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5232551 0.73 MAPT (0.53) AKR1C3MEN1KMT2AMAPTHTT
SCHEMBL5235602 0.71 AKR1C3 (0.44) AKR1C3MEN1KMT2AMAPTHTT

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-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed