SCHEMBL11380837

SCHEMBL11380837

CC(C)(C)C(O)C(Cc1ccc(F)cc1Cl)n1cncn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.79
MEN1 O00255 3/20 0.79
TDP1 Q9NUW8 2/20 0.79
HSP90AA1 P07900 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP19A1 P11511 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP51A1 Q16850 1/20 0.36
MAPT P10636 1/20 0.35
P2RX7 Q99572 3/20 0.34
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP3A7 P24462 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL12336847 0.91 KMT2A (0.66) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL11489337 0.88 MEN1 (1.00) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL29934164 0.88 MEN1 (1.00) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL21654 0.88 MEN1 (1.00) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL19304856 0.83 KMT2A (0.74) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL1966587 0.81 MEN1 (0.56) KMT2AMEN1TDP1HSP90AA1POLB
Dichlorophen SCHEMBL8309241 0.81 MEN1 (0.84) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL11369815 0.81 KMT2A (0.77) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL10740834 0.80 MEN1 (0.80) KMT2AMEN1TDP1HSP90AA1POLB
SCHEMBL10739338 0.80 MEN1 (0.80) KMT2AMEN1TDP1HSP90AA1POLB

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-4243405-A HYDROXYALKYLTRIAZOLES AND DERIVATIVES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-06 US claimed