SCHEMBL11748730

SCHEMBL11748730

O=C1N=CCN1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 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
SCHEMBL1774022 0.80 RAB9A (0.40) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL3138399 0.76 POLB (0.47) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL11568355 0.75 MAPT (0.40) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL12821098 0.72 SIGMAR1 (0.40) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL30309571 0.71 SIGMAR1 (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL28975392 0.71 SIGMAR1 (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL28485542 0.71 SIGMAR1 (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL10687373 0.68 POLB (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL4101769 0.68 DDB1 (0.46) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL9834330 0.67 KMT2A (0.61) MEN1KMT2ANPC1RAB9AGAA

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-4031229-A SUBSTITUTED IMIDAZOLIDINONE-PENICILLANIC ACIDS, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed