SCHEMBL16155933

SCHEMBL16155933

O=C(O)NCc1nn(NC(=O)CC2CCCCC2)c(=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALPL P05186 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ HPGD P15428 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ GPR39 O43194 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 2/20 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
SCHEMBL13858509 0.88 CHRNA7 (0.42) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13858557 0.81 HPGD (0.44) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13720913 0.80 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1788511 0.79 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30795479 0.79 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16156008 0.78 OGFRL1 (0.42) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL16156007 0.78 OGFRL1 (0.42) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL30795801 0.76 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1786371 0.76 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1791098 0.76 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2

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
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
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