SCHEMBL13858509

SCHEMBL13858509

O=C(O)NCc1nn(NC(=O)CC2CCC(F)(F)CC2)c(=O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.42
▸ CCR5 P51681 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ GPR39 O43194 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ METTL3 Q86U44 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ANO1 Q5XXA6 1/20 0.34

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
SCHEMBL16155933 0.88 RAB9A (0.51) CHRNA7NPC1RAB9AP2RX7GPR39
SCHEMBL13720752 0.81 CHRNA7 (0.37) CHRNA7CCR5ALDH1A1KMT2ALMNA
SCHEMBL13858557 0.77 HPGD (0.44) NPC1RAB9AP2RX7ALDH1A1KMT2A
SCHEMBL16156008 0.77 OGFRL1 (0.42) ALDH1A1LMNASMN1; SMN2HTTTSHR
SCHEMBL16156007 0.77 OGFRL1 (0.42) ALDH1A1LMNASMN1; SMN2HTTTSHR
SCHEMBL13858643 0.75 LMNA (0.54) RAB9AALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL16155973 0.75 LMNA (0.57) KMT2ALMNASMN1; SMN2POLBUSP2
SCHEMBL13858646 0.73 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL25236489 0.72 TEAD1 (0.52) CHRNA7P2RX7
SCHEMBL1791098 0.71 ALDH1A1 (0.45) NPC1RAB9AP2RX7GPR39ALDH1A1

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
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO disclosed
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