SCHEMBL9541782

SCHEMBL9541782

COc1cc(Oc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2Br)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL9542205 0.91 TSHR (0.43) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL9542243 0.88 POLB (0.46) KMT2AALDH1A1MEN1MAPK1CYP1A2
SCHEMBL9542171 0.86 GAA (0.46) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL9543471 0.85 MEN1 (0.42) KMT2AALDH1A1MEN1MAPK1SMN1; SMN2
SCHEMBL9544534 0.82 KMT2A (0.38) KMT2AALDH1A1MEN1MAPK1SMN1; SMN2
SCHEMBL9543443 0.82 TSHR (0.43) KMT2AALDH1A1MEN1MAPK1SMN1; SMN2
SCHEMBL9541760 0.80 TUBB4A (0.51) KMT2AMEN1MAPTTHRBTDP1
SCHEMBL9542198 0.79 GAA (0.47) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL9544531 0.78 KMT2A (0.37) KMT2AALDH1A1MEN1MAPK1SMN1; SMN2
SCHEMBL9540822 0.78 THRB (0.46) KMT2AALDH1A1MEN1GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed