SCHEMBL18672882

SCHEMBL18672882

CC(C)(C)c1cc(CC(C)(C)c2n[nH]c3ccccc23)cc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PRNP P04156 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDR P35968 2/20 0.34
▸ PDPK1 O15530 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL21024134 0.71 SLC22A12 (0.36) KDRPDPK1PLK4CHEK1AURKA
SCHEMBL19413059 0.71 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2KDRPDPK1
SCHEMBL19170570 0.70 HSP90AB1 (0.31) —
SCHEMBL13266980 0.68 KDM4E (0.46) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL2616447 0.67 KDM4E (0.52) ALDH1A1HPGDKDRPDPK1PLK4
SCHEMBL20227355 0.67 ITK (0.34) ALDH1A1HPGDKDRPDPK1PLK4
SCHEMBL22308523 0.67 GRM4 (0.34) KDRPDPK1PLK4CHEK1AURKA
SCHEMBL762334 0.64 PARP1 (0.46) MEN1ALDH1A1PRNPMAPTHPGD
SCHEMBL21888896 0.63 GRM4 (0.39) GRM4
SCHEMBL25216340 0.62 KDM4E (0.42) ALDH1A1MAPTHPGDHTTSMN1; SMN2

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
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
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