SCHEMBL9915284

SCHEMBL9915284

C=CN(C)c1ncncc1C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19412772 0.79 JAK2 (0.40) —
SCHEMBL24861474 0.77 CHEK1 (0.38) KDM4EMEN1LMNACYP1A2CYP3A4
SCHEMBL24504589 0.77 — —
SCHEMBL16257950 0.73 NOS3 (0.41) KDM4ECYP1A2CYP3A4CYP2D6MAPT
SCHEMBL24758647 0.73 — —
SCHEMBL14086582 0.69 — —
SCHEMBL23906371 0.68 — —
SCHEMBL19864857 0.68 LIMK1 (0.33) MEN1LMNAKMT2A
SCHEMBL26862225 0.68 — —
SCHEMBL23079428 0.65 LMNA (0.33) MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012075277-A2 SYNTHETIC METHODS NOVOMER, INC. (US) 2012-06-07 — — WO disclosed
WO-2012037282-A2 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2012-03-22 — — WO disclosed
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