SCHEMBL20445356

SCHEMBL20445356

C/C=C(\NCc1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ NAMPT P43490 3/20 0.55
▸ NR1H4 Q96RI1 2/20 0.55
▸ BCHE P06276 1/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ KCNK3 O14649 2/20 0.53
▸ KCNK9 Q9NPC2 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SENP5 Q96HI0 1/20 0.52
▸ SENP2 Q9HC62 1/20 0.52
▸ SENP1 Q9P0U3 1/20 0.52

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
SCHEMBL27952268 0.78 LMNA (0.70) LMNAMAPK1NAMPTBCHERAB9A
SCHEMBL9302673 0.76 MAPK14 (0.75) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL20445449 0.75 NPC1 (0.65) LMNANAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL2076281 0.75 HPSE (0.72) NR1H4RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL28909751 0.74 NPC1 (0.69) LMNANAMPTRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL2104423 0.74 NR1H4 (0.70) NR1H4RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7610512 0.73 L3MBTL1 (0.61) LMNAMAPK1NR1H4MEN1KMT2A
SCHEMBL23513412 0.73 NPC1 (0.74) MAPK1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL259468 0.73 KCNK3 (0.87) LMNAMAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL29434800 0.73 KCNK3 (0.87) LMNAMAPK1RAB9ANPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018140504-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS PATEL MANOJ K (US) 2018-08-02 — — WO disclosed
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