SCHEMBL9142159

SCHEMBL9142159

CCOC(=O)C=CC(=O)N1CC(C)(C)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
CCR6 P51684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 6/20 0.41
AKR1B1 P15121 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MITF O75030 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9142156 1.00 KMT2A (0.45) KMT2APKMMEN1NPC1HSP90AA1
SCHEMBL4971386 0.86 AKR1B1 (0.44) KMT2AMEN1NPSR1MAPTALDH1A1
SCHEMBL4971376 0.86 AKR1B1 (0.44) KMT2AMEN1NPSR1MAPTALDH1A1
SCHEMBL9845496 0.83 AKR1B1 (0.40) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL9845497 0.83 AKR1B1 (0.40) KMT2AMEN1MAPTALDH1A1AKR1B1
SCHEMBL16101298 0.82 AKR1B1 (0.46) KMT2AMEN1MAPTAKR1B1
SCHEMBL9148051 0.79 AKR1B1 (0.46) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL450748 0.79 AKR1B1 (0.46) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL27313536 0.78 SMN1; SMN2 (0.44) KMT2AHPGDMAPTALDH1A1AKR1B1
SCHEMBL9142319 0.78 AKR1B1 (0.45) KMT2ANPC1HPGDMAPTALDH1A1

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-5420126-A Potassium channel activators YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0432893-A2 Benzoxazine derivatives, their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-06-19 EP disclosed