SCHEMBL7550446

SCHEMBL7550446

O=C(O)CON=Cc1cccnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CCR6 P51684 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NFE2L2 Q16236 2/20 0.36

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
SCHEMBL7553797 0.87 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1POLBTDP1
SCHEMBL7551943 0.85 ALDH1A1 (0.40) LMNASMN1; SMN2ALDH1A1TDP1CCR6
SCHEMBL7551187 0.76 LMNA (0.41) LMNASMN1; SMN2ALDH1A1TDP1NPC1
SCHEMBL4638902 0.75 NFE2L2 (0.40) LMNASMN1; SMN2ALDH1A1POLBTDP1
SCHEMBL1202412 0.71 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL1202413 0.71 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL11141242 0.71 MAPT (0.56) LMNASMN1; SMN2PTGDR2ALDH1A1CYP1A2
SCHEMBL11141237 0.71 MAPT (0.56) LMNASMN1; SMN2PTGDR2ALDH1A1CYP1A2
SCHEMBL11199924 0.71 TDP1 (0.46) PTGDR2ALDH1A1TDP1GPR55KMT2A
SCHEMBL11199920 0.71 TDP1 (0.46) PTGDR2ALDH1A1TDP1GPR55KMT2A

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
WO-2002051811-A1 DERIVATIVES OF ACETIC ACID FOR INCREASING ABIOTIC STRESS TOLERANCE OF CULTIVATED PLANTS SINNEX MUSZAKI FEJLESZTO ÉS TANÁCSADÓ KFT. (HU) 2002-07-04 WO disclosed