SCHEMBL20014197

SCHEMBL20014197

O=C(Nc1ccc(N2CCCC2)cc1)c1cc(-c2cccnc2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 6/20 0.75
▸ NPSR1 Q6W5P4 1/20 0.70
▸ MAPT P10636 4/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ KMT2A Q03164 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ CYP3A4 P08684 3/20 0.60
▸ POLB P06746 1/20 0.60
▸ DHODH Q02127 1/20 0.60
▸ LMNA P02545 1/20 0.57

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
SCHEMBL15452447 0.81 CYP3A4 (0.84) CYP2C9MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL17689204 0.81 CYP2C9 (0.80) CYP2C9MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL17689183 0.78 MAPT (0.69) CYP2C9MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL14970875 0.77 CYP3A4 (1.00) CYP2C9MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL17689191 0.77 CYP2C9 (0.72) CYP2C9MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL17681393 0.76 CYP2C9 (0.70) CYP2C9MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL17689217 0.76 MAPT (0.86) CYP2C9MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL13312263 0.75 CYP2C9 (0.73) CYP2C9MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL1901619 0.74 DHODH (0.90) CYP2C9MAPTALDH1A1KMT2AMEN1
SCHEMBL8304200 0.74 MAPT (0.59) CYP2C9NPSR1MAPTALDH1A1L3MBTL1

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-4275759-A2 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-11-15 — — EP disclosed
EP-3515449-B1 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER DANA FARBER CANCER INST INC (US) 2023-07-12 — — EP disclosed
WO-2018058029-A1 CHROMOBOX PROTEIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-29 — — WO disclosed
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