SCHEMBL7991980

SCHEMBL7991980

N#Cc1ccc(Oc2n[c]c(-c3ccnc(Oc4ccc(OCc5ccccc5)cc4)n3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AR P10275 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MAPK14 Q16539 2/20 0.41
GHSR Q92847 1/20 0.40
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FFAR1 O14842 1/20 0.38
CYP19A1 P11511 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL7974745 0.87 MAPK14 (0.40) MAOBMAPK14
SCHEMBL7986104 0.86 KDM4E (0.39) KDM4ELMNASMN1; SMN2CYP4F2CYP4A11
SCHEMBL7989153 0.77 ALDH1A1 (0.43) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7985834 0.77 MEN1 (0.43) SMN1; SMN2MAPK14CYP11B1CYP11B2HTT
SCHEMBL7986045 0.74 MEN1 (0.40) MAPK14HTT
SCHEMBL28961976 0.73 MAOB (0.89) MAOBLMNASMN1; SMN2ARGHSR
SCHEMBL403151 0.71 MAOB (1.00) MAOBLMNASMN1; SMN2ARGHSR
SCHEMBL7988190 0.71 PDE10A (0.45) MAPK14CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL5619630 0.70 LMNA (0.49) MAOBLMNASMN1; SMN2ARCYP1A2
SCHEMBL7986965 0.69 MAPT (0.41) LMNASMN1; SMN2ARMAPK14CYP1A2

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-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO disclosed