SCHEMBL11380435

SCHEMBL11380435

N#Cc1ccc(Cn2cc(Cc3ncc[nH]3)c3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.58
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ NPM1 P06748 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CNR2 P34972 1/20 0.41
▸ HTR6 P50406 3/20 0.41
▸ SMO Q99835 1/20 0.41

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
SCHEMBL11386043 0.89 CYP19A1 (0.45) CYP19A1LMNAHTTKMT2AMEN1
SCHEMBL6755431 0.87 CYP19A1 (0.56) CYP19A1LMNAKMT2AMEN1ALDH1A1
SCHEMBL11387115 0.83 ALDH1A1 (0.58) CYP19A1LMNAHTTMAPTNPSR1
SCHEMBL11382536 0.82 HDAC6 (0.54) CYP19A1LMNAMAPTNPSR1ALDH1A1
Fumaric Acid SCHEMBL11386887 0.81 LMNA (0.42) CYP19A1LMNAHTTMAPTNPSR1
SCHEMBL11382798 0.81 HDAC6 (0.51) CYP19A1LMNAALDH1A1ADRA2AADRA2B
SCHEMBL11377416 0.79 CYP19A1 (0.41) CYP19A1KMT2AADRA2AADRA2BADRA2C
SCHEMBL11375809 0.79 HDAC6 (0.59) CYP19A1HTTMAPTKMT2AMEN1
SCHEMBL11376219 0.77 HDAC6 (0.54) CYP19A1HTTALDH1A1SMN1; SMN2POLB
SCHEMBL11376099 0.77 HDAC6 (0.54) CYP19A1MAPTKMT2AMEN1ALDH1A1

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-4273782-A FOR USE IN CARDIOVASCULAR DISORDERS AND COMPLICATIONS OF DIABETES PFIZER INC. (US) 1981-06-16 — — US disclosed
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