SCHEMBL8440550

SCHEMBL8440550

CCc1noc(NC(=O)c2ccco2)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
ALDH1A1 P00352 6/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
MAPT P10636 2/20 0.46
GALR3 O60755 1/20 0.46
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
KDR P35968 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL8439074 0.84 ALDH1A1 (0.67) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL15503676 0.76 MEN1 (0.64) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL15503679 0.73 MEN1 (0.59) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL15503673 0.71 KMT2A (1.00) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL11571324 0.70 ATM (0.45) RAB9ANPC1ALDH1A1HPGDLMNA
SCHEMBL15507853 0.69 MEN1 (0.52) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL21316220 0.68 KMT2A (0.74) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL15503668 0.67 RAB9A (0.52) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL11544407 0.67 MAPT (0.50) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL11683297 0.67 ALDH1A1 (0.68) MEN1KMT2ARAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640597-A1 Acylamino substituted isoxazoles and/or isothiazols, process for their preparation and their use BASF Aktiengesellschaft (DE) 1995-03-01 EP claimed
EP-0640597-B1 Acylamino substituted isoxazoles and/or isothiazols, process for their preparation and their use BASF AG (DE) 1999-06-23 EP disclosed
US-5538939-A HERBICIDES AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
EP-0640597-A1 Acylamino substituted isoxazoles and/or isothiazols, process for their preparation and their use BASF Aktiengesellschaft (DE) 1995-03-01 EP disclosed
EP-0640597-A1 Acylamino substituted isoxazoles and/or isothiazols, process for their preparation and their use BASF Aktiengesellschaft (DE) 1995-03-01 EP disclosed