SCHEMBL9034877

SCHEMBL9034877

CC(C)(C)NC(=O)c1cccc2[nH]cc(C3CCN(CCN4C(=O)c5cccc6cccc(c56)C4=O)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAD52 P43351 1/20 0.46
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9035432 0.87 KMT2A (0.51) MEN1KMT2ARAD52POLBRXFP1
SCHEMBL9035288 0.87 RAD52 (0.52) MEN1KMT2ARAD52POLBRXFP1
SCHEMBL9034395 0.86 RAD52 (0.56) MEN1KMT2ARAD52POLBRXFP1
SCHEMBL9036825 0.85 MEN1 (0.49) MEN1KMT2ARAD52POLBRXFP1
SCHEMBL9035794 0.85 HTR1D (0.49) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL9034861 0.80 KDM4E (0.47) MEN1KMT2ARAD52POLBRXFP1
SCHEMBL9033650 0.80 KDM4E (0.47) MEN1KMT2ARAD52POLBRXFP1
SCHEMBL9035214 0.80 MEN1 (0.47) MEN1KMT2ARAD52POLBRXFP1
SCHEMBL9033610 0.78 MEN1 (0.45) MEN1KMT2ARAD52POLBRXFP1
SCHEMBL8876713 0.76 TSHR (0.53) POLBGAAALDH1A1MAPTHPGD

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-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed