SCHEMBL12288786

SCHEMBL12288786

CC(C)c1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCC(C)c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ USP2 O75604 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ HTT P42858 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ HAT1 O14929 4/20 0.43
▸ RBBP7 Q16576 4/20 0.43
▸ KAT7 O95251 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ RECQL P46063 3/20 0.41
▸ CASP7 P55210 3/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ BRCA1 P38398 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TST Q16762 2/20 0.41

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
SCHEMBL14667955 0.92 MEN1 (0.45) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL14667953 0.92 MEN1 (0.45) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL12288573 0.92 MEN1 (0.45) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL12287036 0.90 HAT1 (0.47) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL12286864 0.90 MEN1 (0.44) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL12287032 0.90 HAT1 (0.47) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL12286974 0.90 HAT1 (0.47) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL14667954 0.82 HAT1 (0.44) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL12290368 0.81 HAT1 (0.43) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL14667952 0.80 HAT1 (0.43) MEN1KMT2AUSP2KDM4EHTT

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
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 — — WO disclosed
Send feedback