SCHEMBL7989153

SCHEMBL7989153

COc1ccc(Oc2n[c]c(-c3ccnc(Oc4ccccc4)n3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
USP2 O75604 8/20 0.43
CYP1A2 P05177 8/20 0.43
CYP3A4 P08684 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TSHR P16473 5/20 0.43
CYP2C19 P33261 4/20 0.43
LTA4H P09960 1/20 0.41
CYP2C9 P11712 5/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
RAB9A P51151 1/20 0.40
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39

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
SCHEMBL7988190 0.90 PDE10A (0.45) USP2CYP1A2CYP3A4MEN1KMT2A
SCHEMBL7985834 0.88 MEN1 (0.43) ALDH1A1MEN1KMT2ALTA4HSMN1; SMN2
SCHEMBL7986965 0.86 MAPT (0.41) ALDH1A1USP2CYP1A2CYP3A4MEN1
SCHEMBL7986045 0.82 MEN1 (0.40) MEN1KMT2ALTA4HL3MBTL1MAPT
SCHEMBL7974674 0.81 MEN1 (0.44) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL7974745 0.80 MAPK14 (0.40) MEN1KMT2AMAPK1
SCHEMBL7991980 0.77 MAOB (0.51) CYP1A2CYP2C19CYP2C9LMNASMN1; SMN2
SCHEMBL7974844 0.76 MAPK14 (0.41) L3MBTL1TDP1
SCHEMBL7989104 0.76 PPP1CA (0.50) ALDH1A1KMT2ATSHRSMN1; SMN2L3MBTL1
SCHEMBL16569046 0.72 KDM4E (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9

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-2001032644-A2 EXCITATORY AMINO ACID DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 WO disclosed