SCHEMBL7967045

SCHEMBL7967045

FC(F)(F)c1cccc(CCl)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
HSD11B1 P28845 1/20 0.37
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 3/20 0.34
PTGS2 P35354 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PHF8 Q9UPP1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1B1 P15121 1/20 0.33
KMT2A Q03164 1/20 0.33
POLQ O75417 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
SCHEMBL20560274 0.83 AKR1B1 (0.42) IDO1ALDH1A1KDM4EATMMAOB
SCHEMBL6814075 0.82 IDO1 (0.48) IDO1ALDH1A1KDM4EATMHSD11B1
SCHEMBL121915 0.80 IDO1 (0.55) IDO1ALDH1A1KDM4EATMMAOB
SCHEMBL29560223 0.80 IDO1 (0.55) IDO1ALDH1A1KDM4EATMMAOB
SCHEMBL10747351 0.79 P2RX7 (0.46) IDO1P2RX7
SCHEMBL5097748 0.79 IDO1 (0.44) IDO1ALDH1A1KDM4EATMHSD11B1
SCHEMBL21312967 0.79 GABRA1 (0.46) IDO1HSD11B1MAOBPOLBSMN1; SMN2
SCHEMBL3238101 0.79 IDO1 (0.41) IDO1ALDH1A1KDM4EATMHSD11B1
SCHEMBL144963 0.79 IDO1 (0.41) IDO1ALDH1A1KDM4EATMHSD11B1
SCHEMBL30368290 0.79 IDO1 (0.41) IDO1ALDH1A1KDM4EATMHSD11B1

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-6207826-B1 Macrocyclic compounds having nitrogen-containing linkages ISIS PHARMACEUTICALS, INC. 2001-03-27 US disclosed