SCHEMBL21043133

SCHEMBL21043133

Cc1ccc(Cn2cc(C=O)c3ncccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ HTT P42858 2/20 0.50
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL22001176 0.88 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL21043119 0.87 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL21042783 0.87 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL22001178 0.84 POLB (0.39) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL22001377 0.82 CHRM1 (0.58) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL22001746 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL21043462 0.81 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL8758318 0.79 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL21042583 0.79 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL21043130 0.79 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1HTTKMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 — — EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
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