SCHEMBL27739286

SCHEMBL27739286

CC(C)(C)c1ccc(C=CCS(=O)(=O)Nc2ccc3c(ccn3CC(=O)N3CCC(C(=O)O)CC3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.36
HDAC8 Q9BY41 1/20 0.35
CREBBP Q92793 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NTSR1 P30989 3/20 0.34
NR1I2 O75469 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 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
SCHEMBL27718126 0.87 KMT2A (0.38) F2HDAC8ITGB2ICAM1ITGAL
SCHEMBL27739283 0.87 EPHX2 (0.42) HDAC8HPGDNR1I2KCNQ3KCNQ2
SCHEMBL3196554 0.85 ALDH1A1 (0.43) F2LMNANTSR1NR1I2ATM
SCHEMBL27739287 0.81 F2 (0.36) F2CREBBPLMNANTSR1POLB
SCHEMBL28771623 0.73 EPHX2 (0.47) HDAC8NR1I2KCNQ3KCNQ2KCNQ4
SCHEMBL3193216 0.73 SERPINE1 (0.47) F2CREBBPLMNANTSR1NR1I2
SCHEMBL3195564 0.71 SERPINE1 (0.43) HDAC8LMNA
SCHEMBL3183923 0.71 CRHBP (0.47) GAAHPGDNR1I2KCNQ3KCNQ2
SCHEMBL3195492 0.71 NTSR1 (0.62) GAANTSR1
SCHEMBL27739284 0.69 EPHX2 (0.42) GAAHPGDNR1I2KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101263115-A Substituted indoles and use thereof WYETH CORP (US) 2008-09-10 CN claimed
CN-101263115-A Substituted indoles and use thereof WYETH CORP (US) 2008-09-10 CN disclosed