SCHEMBL11638744

SCHEMBL11638744

CCN(CC)c1cccc(NC(=O)CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ MAPT P10636 4/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ NOX1 Q9Y5S8 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ RAB9A P51151 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL9408526 0.88 RAB9A (0.61) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL30400187 0.88 RAB9A (0.61) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11420893 0.86 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL9408549 0.85 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11194397 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL3044258 0.84 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL697935 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL29594409 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL8742796 0.82 SMN1; SMN2 (0.60) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL9621675 0.82 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2AMAPTMAPK1

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-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 — — US disclosed
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