SCHEMBL28699530

SCHEMBL28699530

C=C(C(=O)N1CCOCC1)c1ccncc1.CC(C)(C)c1ccc(/C(=C/C=O)c2ccnc(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
POLB P06746 2/20 0.34
BTK Q06187 4/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
PHGDH O43175 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
Pyrimorph SCHEMBL29368725 0.80 RAB9A (0.49) RAB9ANPC1TRPV1ALDH1A1SMN1; SMN2
Pyrimorph SCHEMBL325300 0.80 RAB9A (0.49) RAB9ANPC1TRPV1ALDH1A1SMN1; SMN2
Pyrimorph SCHEMBL324973 0.80 RAB9A (0.49) RAB9ANPC1TRPV1ALDH1A1SMN1; SMN2
Pyrimorph SCHEMBL324974 0.80 RAB9A (0.49) RAB9ANPC1TRPV1ALDH1A1SMN1; SMN2
Pyrimorph SCHEMBL29366446 0.80 RAB9A (0.49) RAB9ANPC1TRPV1ALDH1A1SMN1; SMN2
SCHEMBL23388477 0.77 PKM (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL17373246 0.72 RAB9A (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL9937937 0.72 MEN1 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL15942409 0.72 MEN1 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL14690854 0.72 MEN1 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD

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
CN-108004235-B Soybean event SYHT0H2 and compositions and methods for detection thereof 先正达参股股份有限公司 2022-02-08 CN disclosed