SCHEMBL23388477

SCHEMBL23388477

C=C(C(=O)N1CCOCC1)c1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
PHGDH O43175 2/20 0.46
PIK3CA P42336 1/20 0.44
HPGD P15428 1/20 0.44
PROKR1 Q8TCW9 1/20 0.42
AKR1C3 P42330 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
FKBP1A P62942 1/20 0.39
LRRK2 Q5S007 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL3249195 0.84 PKM (0.63) PKMPHGDHHPGDPROKR1AKR1C3
SCHEMBL28699530 0.77 RAB9A (0.38) PKMPHGDHHPGDSMN1; SMN2ALDH1A1
SCHEMBL7854673 0.76 PKM (0.43) PKMPHGDHHPGDAKR1C3SMN1; SMN2
SCHEMBL5176948 0.73 PHGDH (0.57) PHGDHHPGDAKR1C3SMN1; SMN2NPC1
SCHEMBL20892722 0.73 MAPT (0.51) PIK3CAHPGDAKR1C3SMN1; SMN2ALDH1A1
SCHEMBL16332511 0.71 KMT2A (0.66) HPGDHSD17B10ALDH1A1FKBP1ALRRK2
SCHEMBL3763863 0.70 PROKR1 (0.50) PKMHPGDPROKR1AKR1C3SMN1; SMN2
SCHEMBL939096 0.70 PROKR1 (0.63) HPGDPROKR1ALDH1A1KDM4EKMT2A
SCHEMBL937205 0.70 PROKR1 (0.63) PKMHPGDPROKR1SMN1; SMN2HSD17B10
SCHEMBL798155 0.70 PHGDH (0.60) PKMPHGDHHPGDAKR1C3SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384016-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2024-06-19 EP claimed
WO-2023017120-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE BAYER AKTIENGESELLSCHAFT (DE) 2023-02-16 WO claimed
WO-2021099079-A9 SOLVATES OF ABSCISIC ACID AND LIQUID COMPOSITIONS CONTAINING ABSCISIC ACID CLARIANT INTERNATIONAL LTD (CH) 2021-08-12 WO disclosed
WO-2021099079-A1 SOLVATES OF ABSCISIC ACID AND LIQUID COMPOSITIONS CONTAINING ABSCISIC ACID CLARIANT INTERNATIONAL LTD (CH) 2021-05-27 WO disclosed