SCHEMBL13359018

SCHEMBL13359018

[CH2]c1ccc(C)cc1NC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KIF11 P52732 1/20 0.46
▸ KCNMA1 Q12791 1/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ GAA P10253 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL9686607 0.83 KMT2A (0.49) HPGDCYP1A2CYP2C9CYP2C19KCNMA1
SCHEMBL1092461 0.81 RAB9A (0.58) HPGDCYP1A2CYP2C19KMT2AMEN1
SCHEMBL29373841 0.78 RAB9A (0.57) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8686668 0.78 HPGD (0.50) HPGDCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL5218510 0.78 PDK1 (0.56) HPGDCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL1426650 0.78 RAB9A (0.57) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL31226789 0.77 MEN1 (0.67) HPGDKMT2AMEN1GAARAB9A
SCHEMBL5527378 0.77 MEN1 (0.67) HPGDKMT2AMEN1GAARAB9A
SCHEMBL6836389 0.76 CXCR2 (0.63) HPGDCYP1A2CYP2C9CYP2C19KIF11
SCHEMBL5534456 0.75 KMT2A (0.66) HPGDKMT2AMEN1GAALMNA

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-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 — — US disclosed
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