SCHEMBL11340555

SCHEMBL11340555

C1=Cc2ccc3nccnc3c2ON=C1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL6995462 0.78 MAPT (0.46) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL10437588 0.68 KDM4E (0.31) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL3205689 0.66 MEN1 (0.34) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL30335572 0.63 MAPT (0.50) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL29463681 0.63 MAPT (0.50) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL87693 0.63 MAPT (0.50) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL30716827 0.61 MAPT (0.48) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL5767894 0.57 ADRA2A (0.39) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL1326949 0.57 — —
SCHEMBL28650137 0.56 CA2 (0.42) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003016-B1 PYRAZINO-BENZOXAZEPINE AND -BENZTHIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1981-12-30 — — EP disclosed
EP-0003016-B1 PYRAZINO-BENZOXAZEPINE AND -BENZTHIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1981-12-30 — — EP disclosed
EP-0003016-A1 Pyrazino-benzoxazepine and -benzthiazepine derivatives, processes for their production and pharmaceutical compositions containing them SANDOZ AG (CH) 1979-07-25 — — EP disclosed
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