SCHEMBL16090166

SCHEMBL16090166

Cc1ncnc(NC(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HTT P42858 4/20 0.43
▸ MAP4K4 O95819 2/20 0.40
▸ NPC1 O15118 4/20 0.37
▸ TP53 P04637 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ PIP4K2A P48426 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ CD38 P28907 1/20 0.35
▸ PKM P14618 1/20 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
SCHEMBL17622723 0.79 AURKA (0.43) SMN1; SMN2TP53ALDH1A1
SCHEMBL16090543 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11105297 0.76 GALR3 (0.60) LMNASMN1; SMN2TP53RAB9AHSD17B10
SCHEMBL19957830 0.75 CRHR1 (0.36) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14983681 0.75 YTHDC1 (0.44) LMNAMAP4K4TP53HSD17B10ALDH1A1
SCHEMBL17623220 0.74 TP53 (0.36) LMNASMN1; SMN2HTTNPC1TP53
SCHEMBL22048110 0.73 MEN1 (0.38) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL17623001 0.73 PDE1B (0.30) —
SCHEMBL18708840 0.70 LRRK2 (0.46) LMNASMN1; SMN2HTTMAP4K4NPC1
SCHEMBL16090164 0.70 KDM4E (0.43) LMNASMN1; SMN2HTTMAP4K4ALDH1A1

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-2014144169-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 — — WO disclosed
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