SCHEMBL11692002

SCHEMBL11692002

CC(C)N(Cc1ccc(Br)cc1)C(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MTOR P42345 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
F2R P25116 1/20 0.47
GAA P10253 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL16724727 0.90 MEN1 (0.66) MEN1KMT2AALDH1A1NPSR1MTOR
SCHEMBL11695167 0.88 HDAC1 (0.48) MEN1KMT2AALDH1A1NPSR1MTOR
SCHEMBL11695774 0.86 EGFR (0.54) MEN1KMT2AALDH1A1NPSR1MTOR
SCHEMBL11693120 0.86 ALDH1A1 (0.56) MEN1KMT2AALDH1A1NPSR1MTOR
SCHEMBL11709393 0.83 MAPT (0.69) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL29140946 0.77 MTOR (0.61) MEN1KMT2AALDH1A1NPSR1MTOR
SCHEMBL10595774 0.75 NAMPT (0.53) MEN1KMT2AALDH1A1NPSR1MTOR
SCHEMBL29140894 0.75 ALDH1A1 (0.78) MEN1KMT2AALDH1A1NPSR1HDAC1
SCHEMBL10716551 0.75 ALDH1A1 (0.53) ALDH1A1NPSR1MTORHDAC1HDAC6
SCHEMBL11691549 0.75 EGFR (0.51) ALDH1A1NPSR1MTORHDAC1HDAC6

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-4010281-A N-(4-HALOBENZYL)-N-BRANCHED ALKYL-N'-PHENYLUREAS AND FUNGICIDAL USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-03-01 US claimed