SCHEMBL11537243

SCHEMBL11537243

CC(C)c1ccc(NC(=O)Nc2ccccc2-n2ccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ STING1 Q86WV6 1/20 0.48
▸ P2RY1 P47900 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ ACP1 P24666 1/20 0.45
▸ PORCN Q9H237 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ IDH2 P48735 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL11541657 0.87 MEN1 (0.76) KMT2AMEN1NPC1RAB9ACYP3A4
SCHEMBL11535044 0.86 MEN1 (0.78) KMT2AMEN1NPC1RAB9ASTING1
SCHEMBL11536064 0.84 KMT2A (0.65) KMT2AMEN1NPC1RAB9ACYP3A4
SCHEMBL11537127 0.84 MEN1 (0.67) KMT2AMEN1CYP3A4ALDH1A1IDO1
SCHEMBL11539010 0.84 KMT2A (0.67) KMT2AMEN1NPC1RAB9ASTING1
SCHEMBL11538807 0.84 KMT2A (0.67) KMT2AMEN1NPC1RAB9ASTING1
SCHEMBL11536295 0.83 MEN1 (0.64) KMT2AMEN1NPC1RAB9ACYP3A4
SCHEMBL11541673 0.83 KMT2A (0.64) KMT2AMEN1NPC1RAB9ASTING1
SCHEMBL11472293 0.82 MEN1 (0.71) KMT2AMEN1NPC1RAB9ACYP3A4
SCHEMBL11539328 0.82 MEN1 (0.83) KMT2AMEN1NPC1RAB9AP2RY1

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-4160097-A INTERMEDIATES FOR FUNGICIDAL AND ANTIINFLAMMATORY 4-SUBSTITUTED IMIDAZO(1,2-A)QUINOXALINES WESTWIND PHARMACEUTICALS, INC. (US) 1979-07-03 — — US claimed
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