SCHEMBL9026778

SCHEMBL9026778

S=C(NCCOc1ccc(OCc2nnc(C3CC3)s2)cc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DGAT1 O75907 2/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
EPHX2 P34913 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9027326 0.87 KMT2A (0.50) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL9026773 0.80 RAB9A (0.37) ALDH1A1HPGDALOX15HSD17B10DGAT1
SCHEMBL9311594 0.78 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL9309967 0.71 RAB9A (0.37) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL9027319 0.71 ACACB (0.41) ALDH1A1HPGDALOX15HSD17B10RAB9A
SCHEMBL9027214 0.67 NPC1 (0.43) MEN1KMT2ARAB9ANPC1EPHX2
SCHEMBL9310510 0.65 NPSR1 (0.40) MEN1KMT2AALDH1A1HPGDALOX15
Hydrochloric Acid SCHEMBL8626224 0.65 DGAT1 (0.39) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL9730441 0.64 ABL1 (0.46) RAB9ANPC1SMN1; SMN2PKMEPHX2
SCHEMBL243691 0.64 MAPK14 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498179-B1 Cyclopropancarboxylic acid amides and thioamides, process and intermediates for their preparation and their use as pesticides BASF AG (DE) 1996-09-25 EP disclosed
US-5190963-A Pesticides, crop protection BASF AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
EP-0498179-A1 Cyclopropancarboxylic acid amides and thioamides, process and intermediates for their preparation and their use as pesticides BASF Aktiengesellschaft (DE) 1992-08-12 EP disclosed