SCHEMBL9435129

SCHEMBL9435129

Cn1c(=O)c(=Cc2ccccc2)[nH]c(=O)c1=Cc1ccc(C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 5/20 0.50
▸ F2 P00734 3/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ BRD4 O60885 3/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35

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
SCHEMBL9435117 1.00 SERPINE1 (0.50) SERPINE1F2KMT2ANPC1RAB9A
SCHEMBL9184625 0.90 SERPINE1 (0.52) SERPINE1KMT2AMAPTTDP1L3MBTL1
SCHEMBL9435379 0.90 SERPINE1 (0.52) SERPINE1KMT2AMAPTTDP1L3MBTL1
SCHEMBL8641837 0.87 SERPINE1 (0.56) SERPINE1KMT2ANPC1RAB9ACYP2C19
SCHEMBL8641841 0.87 SERPINE1 (0.56) SERPINE1KMT2ANPC1RAB9ACYP2C19
SCHEMBL9435603 0.85 SERPINE1 (0.53) SERPINE1KMT2ACYP2C19MAPTBLM
SCHEMBL9435600 0.85 SERPINE1 (0.53) SERPINE1KMT2ACYP2C19MAPTBLM
SCHEMBL9435397 0.85 SERPINE1 (0.53) SERPINE1KMT2ANPC1RAB9ACYP2C19
SCHEMBL9187618 0.85 SERPINE1 (0.53) SERPINE1KMT2ANPC1RAB9ACYP2C19
SCHEMBL9435314 0.83 SERPINE1 (0.44) SERPINE1KMT2ANPC1RAB9ACYP2C19

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-1994004513-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 — — WO claimed
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