SCHEMBL21043057

SCHEMBL21043057

Cc1ccnc2c(C(N)=O)cn(Cc3ccc(Cl)nc3)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ ADRA1D P25100 2/20 0.39
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL19997529 0.88 ADRA1D (0.48) LMNACHRM1ADRA1D
SCHEMBL16628330 0.85 CHRM1 (0.43) L3MBTL1KMT2AMEN1CHRM1ALDH1A1
SCHEMBL21043053 0.85 CHRM1 (0.43) L3MBTL1CHRM1ADRA1D
SCHEMBL21043062 0.84 NNMT (0.42) CHRM1
SCHEMBL16628262 0.83 NPC1 (0.47) LMNAL3MBTL1KMT2AMEN1CHRM1
SCHEMBL19997556 0.74 RPS6KB1 (0.42) L3MBTL1KMT2AMEN1ADRA1DALDH1A1
SCHEMBL19997557 0.73 CCNC (0.41) L3MBTL1ADRA1D
SCHEMBL21042584 0.72 POLB (0.42) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL3487723 0.71 ADRA1D (0.74) ADRA1D
SCHEMBL16628260 0.71 CHRM1 (0.46) CHRM1ADRA1D

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
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
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