SCHEMBL9010775

SCHEMBL9010775

C#CC(C)(C)NC(=O)c1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 4/20 0.48
GAA P10253 3/20 0.48
PKM P14618 2/20 0.48
EGFR P00533 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NAPRT Q6XQN6 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
MDM4 O15151 1/20 0.45
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL3531806 0.83 GAA (0.61) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL7027104 0.80 NPC1 (0.57) RAB9ASMN1; SMN2ALDH1A1NPC1PKM
SCHEMBL2090351 0.78 GAA (0.52) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL27683406 0.76 L3MBTL1 (0.55) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL17670950 0.76 L3MBTL1 (0.58) RAB9ASMN1; SMN2ALDH1A1NPC1PKM
SCHEMBL11370989 0.75 HDAC1 (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1PKM
SCHEMBL9821286 0.74 RAB9A (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL103123 0.74 RAB9A (0.61) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
Pronamide SCHEMBL2045136 0.73 RAB9A (0.47) RAB9ANPC1GAAPKMKMT2A
Pronamide SCHEMBL55124 0.73 RAB9A (0.47) RAB9ANPC1GAAPKMKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547984-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1996-08-20 US disclosed
US-5529978-A FUNGICIDE ROHM AND HAAS COMPANY (US) 1996-06-25 US disclosed
US-5344978-A Fungicides ROHM AND HAAS COMPANY (US) 1994-09-06 US disclosed
US-5196046-A N-acetonyl-substituted-amides ROHM AND HAAS COMPANY (US) 1993-03-23 US disclosed
EP-0170498-B1 N-ACETONYL-SUBSTITUTED-AMIDES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN COMBATING FUNGI ROHM AND HAAS COMPANY (US) 1991-09-11 EP disclosed
US-4863940-A N-acetonyl-substituted amides and phytopathogenic fungicidal use thereof ROHM AND HAAS (US) 1989-09-05 US disclosed
EP-0170498-A2 N-acetonyl-substituted-amides, compositions containing them and their use in combating fungi ROHM AND HAAS COMPANY (US) 1986-02-05 EP disclosed