SCHEMBL23877071

SCHEMBL23877071

CCNc1nc2ccccc2nc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A1 P04798 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ PGK1 P00558 4/20 0.40
▸ APP P05067 2/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ ELANE P08246 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ILK Q13418 1/20 0.36

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
SCHEMBL24688290 0.82 KDM4E (0.57) KDM4EMAPK1NPSR1L3MBTL1CYP1A1
SCHEMBL12141863 0.81 KDM4E (0.69) KDM4EMAPK1NPSR1L3MBTL1PGK1
SCHEMBL13150847 0.76 MAPT (0.53) KDM4EMAPK1L3MBTL1CYP1A2MEN1
SCHEMBL26534307 0.76 MAPT (0.47) KDM4EMAPK1NPSR1L3MBTL1CYP1A1
SCHEMBL11695334 0.74 KDM4E (0.52) KDM4EMAPK1NPSR1L3MBTL1CYP1A1
SCHEMBL17014813 0.74 KDM4E (0.70) KDM4EMAPK1NPSR1L3MBTL1PGK1
SCHEMBL18721598 0.72 KDM4E (0.43) KDM4EMAPK1NPSR1L3MBTL1CYP1A2
SCHEMBL18721843 0.72 TSHR (0.39) KDM4ENPSR1CYP1A2ELANEPOLB
SCHEMBL6312005 0.71 TDP1 (0.58) KDM4ENPSR1L3MBTL1MEN1POLB
SCHEMBL11327423 0.69 MAPT (0.47) KDM4EMAPK1L3MBTL1CYP1A2MAPT

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-2021194914-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2021-09-30 — — WO disclosed
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