SCHEMBL13858643

SCHEMBL13858643

O=C(O)NCc1nn(NC(=O)Cc2ccc(F)cc2)c(=O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 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
SCHEMBL13858646 0.89 ALDH1A1 (0.50) LMNASMN1; SMN2USP2ALDH1A1RAB9A
SCHEMBL16155973 0.89 LMNA (0.57) LMNASMN1; SMN2USP2KMT2APOLB
SCHEMBL13720169 0.83 ALDH1A1 (0.48) LMNASMN1; SMN2USP2ALDH1A1RAB9A
SCHEMBL1790108 0.81 MAPT (0.56) LMNASMN1; SMN2USP2ALDH1A1RAB9A
SCHEMBL30794643 0.81 MAPT (0.56) LMNASMN1; SMN2USP2ALDH1A1RAB9A
SCHEMBL13720957 0.80 SMN1; SMN2 (0.47) LMNASMN1; SMN2USP2ALDH1A1RAB9A
SCHEMBL13721251 0.78 EGFR (0.50) LMNASMN1; SMN2USP2ALDH1A1RAB9A
SCHEMBL13720474 0.77 KDM4E (0.47) LMNASMN1; SMN2USP2ALDH1A1RAB9A
SCHEMBL30796305 0.77 TSHR (0.50) LMNASMN1; SMN2USP2KMT2APOLB
SCHEMBL1791416 0.77 TSHR (0.50) LMNASMN1; SMN2USP2KMT2APOLB

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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