SCHEMBL13537102

SCHEMBL13537102

COc1ccncc1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ L3MBTL1 Q9Y468 7/20 0.48
▸ LMNA P02545 7/20 0.48
▸ HTT P42858 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 3/20 0.47
▸ TRPM8 Q7Z2W7 3/20 0.44
▸ CYP2A6 P11509 3/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ PPP1CA P62136 2/20 0.43

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
SCHEMBL20668153 0.83 CYP2A6 (0.44) SMN1; SMN2KDM4ETP53HSD17B10NPC1
SCHEMBL29496935 0.82 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ETP53HSD17B10NPC1
SCHEMBL2039527 0.82 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ETP53HSD17B10NPC1
SCHEMBL1445133 0.81 CCNT1 (0.60) KDM4EHSD17B10LMNATDP1CYP2A6
SCHEMBL28456060 0.79 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ETP53HSD17B10NPC1
SCHEMBL3898528 0.79 IKBKB (0.47) SMN1; SMN2KDM4ETP53HSD17B10NPC1
SCHEMBL31689354 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ETP53HSD17B10NPC1
SCHEMBL12270012 0.77 CYP2A6 (0.50) CYP2A6SLC22A12CYP1A2CCR1CCR8
SCHEMBL5142866 0.77 CYP2A6 (0.48) SMN1; SMN2KDM4ETP53HSD17B10NPC1
SCHEMBL27892845 0.77 GSK3B (0.48) KDM4EGAALMNAPOLBCYP2A6

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
EP-2344486-B1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THEIR USE AS FAAH INHIBITORS SANOFI SA (FR) 2013-03-27 — — EP disclosed
WO-2010010288-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-28 — — WO disclosed
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