SCHEMBL6777321

SCHEMBL6777321

COc1cccc(CN2C(=O)C(O)=C(C(C)=O)C2c2ccc(F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 4/20 0.59
HPGD P15428 1/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALOX12 P18054 1/20 0.58
HTT P42858 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RXFP1 Q9HBX9 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 2/20 0.54
PKM P14618 1/20 0.53
ALOX15 P16050 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HIF1A Q16665 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL6781400 0.89 MEN1 (0.72) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6779603 0.82 KDM4E (0.64) TDP1ALDH1A1KDM4EHPGDMEN1
SCHEMBL16904825 0.80 ALOX15 (0.63) TDP1ALDH1A1KDM4EHPGDMEN1
SCHEMBL3706362 0.79 USP7 (0.67) TDP1ALDH1A1KDM4EHPGDMEN1
SCHEMBL29619258 0.79 USP7 (0.67) TDP1ALDH1A1KDM4EHPGDMEN1
SCHEMBL6781375 0.79 KDM4E (0.60) TDP1ALDH1A1KDM4EHPGDMEN1
SCHEMBL6776780 0.78 RXFP1 (0.66) TDP1ALDH1A1KDM4EHPGDMEN1
SCHEMBL15563413 0.78 ALOX15 (0.60) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16244781 0.77 TDP1 (0.68) TDP1ALDH1A1KDM4EHPGDMEN1
SCHEMBL6785134 0.76 MEN1 (0.65) TDP1ALDH1A1KDM4EHPGDMEN1

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-6727275-B2 ANTIINFLAMMATORY, ANTIALLERGEN, AND ANTIASTHMATIC AGENTS UCB, S.A./N.V. (BE) 2004-04-27 US claimed