SCHEMBL14380331

SCHEMBL14380331

Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
MMP14 P50281 1/20 0.67
CYP1A2 P05177 1/20 0.63
TSHR P16473 1/20 0.63
POLB P06746 5/20 0.61
KCNK3 O14649 2/20 0.61
KCNK9 Q9NPC2 2/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
APAF1 O14727 1/20 0.61
MITF O75030 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.61
MCL1 Q07820 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL6417715 0.97 KMT2A (0.69) KMT2AMEN1MMP14CYP1A2TSHR
SCHEMBL14380330 0.92 KMT2A (0.70) KMT2AMEN1MMP14CYP1A2TSHR
SCHEMBL6419867 0.88 MEN1 (0.82) KMT2AMEN1MMP14CYP1A2TSHR
SCHEMBL30544874 0.88 MEN1 (0.82) KMT2AMEN1MMP14CYP1A2TSHR
SCHEMBL6419501 0.87 KMT2A (0.71) KMT2AMEN1POLBKCNK3KCNK9
SCHEMBL8426998 0.85 MEN1 (0.65) KMT2AMEN1MMP14CYP1A2TSHR
SCHEMBL9174800 0.84 MEN1 (0.76) KMT2AMEN1MMP14CYP1A2TSHR
SCHEMBL14600815 0.84 MEN1 (0.76) KMT2AMEN1MMP14CYP1A2TSHR
SCHEMBL12957175 0.84 MEN1 (0.76) KMT2AMEN1MMP14CYP1A2TSHR
SCHEMBL11532855 0.83 CYP1A2 (0.63) KMT2AMEN1MMP14CYP1A2TSHR

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-20070271712-A1 Process for Dyeing Cellulosic Fibre Materials With at Least Two Vat Dyes HUNTSMAN INTERNATIONAL LLC 2007-11-29 US disclosed