SCHEMBL9849606

SCHEMBL9849606

C#CCN1COc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
NOTUM Q6P988 1/20 0.33
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32

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
SCHEMBL17891235 0.83 KMT2A (0.51) KMT2AHPGDITGB2ICAM1ITGAL
SCHEMBL27861547 0.81 KMT2A (0.39) KMT2AALOX15CYP2C9HPGDCYP2C19
SCHEMBL11995109 0.79 ABCG2 (0.42) KMT2AALOX15CYP2C9HPGDCYP2C19
SCHEMBL9134742 0.76 CYP2C9 (0.40) KMT2AALOX15CYP2C9HPGDCYP2C19
SCHEMBL27672516 0.76 HPGD (0.40) KMT2AALOX15CYP2C9HPGDCYP2C19
SCHEMBL9378956 0.73 TSHR (0.59) KMT2ATSHRGAAMAPTMEN1
SCHEMBL28171665 0.73 SIRT1 (0.51) ALOX15CYP2C9HPGDCYP2C19HIF1A
SCHEMBL27595430 0.73 HPGD (0.39) KMT2AALOX15CYP2C9HPGDCYP2C19
SCHEMBL31547779 0.73 CYP2C9 (0.39) KMT2AALOX15CYP2C9HPGDCYP2C19
SCHEMBL21094560 0.71 HSD17B10 (0.38) KMT2AALOX15CYP2C9HPGDCYP2C19

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
EP-0427484-A1 Novel benzoxazolone compounds and the use thereof as microbicides ROHM AND HAAS COMPANY (US) 1991-05-15 EP disclosed