SCHEMBL22726443

SCHEMBL22726443

CC1=C(c2ccccc2Cl)CCNc2ccc(C)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PARP10 Q53GL7 2/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 2/20 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
SCHEMBL19978083 0.71 PARP10 (0.46) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL13176930 0.68 PLA2G7 (0.50) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5546719 0.67 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL24312365 0.67 PARP10 (0.40) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL18944161 0.66 PARP10 (0.39) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL14255914 0.65 PARP10 (0.40) ALDH1A1MAPTHPGDTP53ALOX15
SCHEMBL277914 0.65 PLA2G7 (0.67) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL21160781 0.64 PARP10 (0.42) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL23484221 0.64 PARP10 (0.40) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL10921066 0.63 NOTUM (0.50) ALDH1A1MAPTALOX15PARP10PARP1

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-3057950-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2020-12-02 — — EP disclosed
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