SCHEMBL9199770

SCHEMBL9199770

CC(C)(C)NC(=O)c1nsc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
RIPK1 Q13546 1/20 0.40
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
DYRK1A Q13627 1/20 0.38
MDM2 Q00987 1/20 0.37

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
SCHEMBL11156557 0.80 KDM4E (0.51) ALDH1A1LMNAL3MBTL1SMN1; SMN2CYP2C9
SCHEMBL9199776 0.80 LMNA (0.39) ALDH1A1LMNAL3MBTL1SMN1; SMN2NPC1
SCHEMBL20027633 0.76 HPGD (0.44) ALDH1A1SMN1; SMN2NPC1RAB9ACYP2C9
SCHEMBL9593142 0.75 KDM4E (0.46) ALDH1A1LMNAL3MBTL1SMN1; SMN2NPC1
SCHEMBL3355557 0.69 KDM4E (0.42) ALDH1A1LMNASMN1; SMN2CYP2C9KDM4E
SCHEMBL30852420 0.66 KDM4E (0.46) ALDH1A1LMNAPOLBCYP2C9KDM4E
SCHEMBL12376645 0.66 RIPK1 (0.43) ALDH1A1LMNASMN1; SMN2RAB9ARIPK1
SCHEMBL12376693 0.66 ADORA2A (0.59) ALDH1A1LMNANPC1KDM4EGAA
SCHEMBL6416083 0.65 NPC1 (0.60) LMNASMN1; SMN2NPC1RAB9APOLB
SCHEMBL7721933 0.65 SMN1; SMN2 (0.42) ALDH1A1LMNAL3MBTL1SMN1; SMN2POLB

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-0418667-B1 Carboxylic acid amides BASF AG (DE) 1995-08-16 EP disclosed
US-5201932-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed