SCHEMBL18942745

SCHEMBL18942745

CC(C)Oc1ccc(N2C(=O)C=C(Br)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALDH1A3 P47895 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ MGLL Q99685 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23277799 0.80 KMT2A (0.68) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL15033479 0.76 KMT2A (0.68) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL20760615 0.76 MGLL (0.53) KMT2AALDH1A1MEN1LMNAMGLL
SCHEMBL18919417 0.73 MGLL (0.53) KMT2AMEN1HSP90AA1PKMMGLL
SCHEMBL7830939 0.73 MGLL (0.53) KMT2AALDH1A1MEN1HSP90AA1HTT
SCHEMBL9725345 0.73 FAAH (0.39) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL1163961 0.72 MGLL (0.50) KMT2AALDH1A1HPGDMEN1PKM
SCHEMBL18919439 0.72 KDM4E (0.39) ALDH1A1LMNAMGLLMAPTKDM4E
SCHEMBL15033558 0.70 KMT2A (0.54) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL20760789 0.69 RGS4 (0.40) KMT2AALDH1A1MEN1MGLLKDM4E

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
WO-2017095237-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS SAMMUT IVAN ANDREW (NZ) 2017-06-08 — — WO disclosed
Send feedback