SCHEMBL9595388

SCHEMBL9595388

O=C1c2ccccc2CN1C/C=C\CN1Cc2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
DRD2 P14416 2/20 0.48
DRD5 P21918 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.47
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL9383418 1.00 KDM4E (0.57) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL9383413 1.00 KDM4E (0.57) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL9377660 0.92 KDM4E (0.50) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL31463068 0.92 KDM4E (0.50) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL9376022 0.92 KDM4E (0.50) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL9595435 0.92 KDM4E (0.50) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL8271248 0.89 KDM4E (0.54) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL19852202 0.87 KDM4E (0.55) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL8227830 0.86 ADRA1D (0.59) KDM4EALOX15TSHRSIRT1KMT2A
SCHEMBL29642368 0.83 KDM4E (0.58) KDM4EALOX15TSHRSIRT1KMT2A

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
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed