SCHEMBL14620125

SCHEMBL14620125

COC(=O)CC=C(NC(C)=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.42
UBE2N P61088 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 5/20 0.41
HPGD P15428 1/20 0.40
EPHX1 P07099 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OGG1 O15527 1/20 0.38

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
SCHEMBL14620482 0.88 TDP1 (0.44) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL14620481 0.85 PTGS2 (0.40) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL14620126 0.85 CA1 (0.45) L3MBTL1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL14620480 0.85 SMN1; SMN2 (0.44) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL14620353 0.85 MTNR1A (0.44) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL14588756 0.77 ALDH1A1 (0.45) MEN1KMT2ACYP1A2L3MBTL1ALDH1A1
SCHEMBL14620311 0.72 CTSD (0.49) KMT2AL3MBTL1LMNAGAASMN1; SMN2
SCHEMBL14620458 0.72 SMN1; SMN2 (0.40) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL11827259 0.72 GSK3B (0.55) MEN1KMT2ACYP1A2ATML3MBTL1
Water SCHEMBL27463157 0.69 MAOB (0.54) MEN1KMT2ACYP1A2ATML3MBTL1

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-7169953-B2 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2007-01-30 US disclosed