SCHEMBL9430469

SCHEMBL9430469

CC(C)c1ccc(CCNc2ncnc3ncccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.50
▸ MAPK1 P28482 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ APP P05067 2/20 0.48
▸ EGFR P00533 1/20 0.48
▸ CNR1 P21554 2/20 0.45
▸ CNR2 P34972 2/20 0.45
▸ SLC29A1 Q99808 1/20 0.44
▸ TTBK1 Q5TCY1 2/20 0.43
▸ TTBK2 Q6IQ55 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GALR3 O60755 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL8542136 0.78 AURKA (0.48) HTTMAPK1LMNAAPPEGFR
SCHEMBL1437428 0.76 TP53 (0.43) HTTMAPK1LMNACNR1CNR2
SCHEMBL13399861 0.75 AURKA (0.74) HTTMAPK1LMNAAPPEGFR
SCHEMBL8540683 0.74 HTT (0.65) HTTMAPK1LMNAAPPEGFR
SCHEMBL8542554 0.74 HTT (0.72) HTTMAPK1LMNAAPPEGFR
SCHEMBL8484236 0.72 LDHA (0.46) HTTMAPK1LMNAAPPEGFR
SCHEMBL13230422 0.70 EGFR (0.49) HTTLMNAAPPEGFRMEN1
SCHEMBL22872908 0.69 AURKA (0.57) HTTMAPK1LMNAEGFRMEN1
SCHEMBL11407033 0.69 PIK3CD (0.56) HTTMAPK1LMNAAPPEGFR
SCHEMBL5264465 0.68 HTT (0.48) HTTLMNAEGFRCNR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3066689-A — — None — — JP disclosed
US-5350749-A Fungicides, insecticides and miticides DOWELANCO (US) 1994-09-27 — — US disclosed
US-5034393-A Fungicides for plants DOWELANCO (US) 1991-07-23 — — US disclosed
JP-H0366689-A PYRIDOPYRIMIDINE DERIVATIVE ELI LILLY & CO 1991-03-22 — — JP disclosed
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