SCHEMBL10683086

SCHEMBL10683086

NC1=C(c2ccccc2)C(=O)CN1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
PTGS1 P23219 4/20 0.43
PTGS2 P35354 4/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SIGMAR1 Q99720 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
SCHEMBL14951518 0.81 MAPT (0.44) KMT2ANPC1RAB9AMEN1PTGS1
SCHEMBL10683056 0.77 NR1H2 (0.42) POLBKMT2APTGS1PTGS2GAA
SCHEMBL10674108 0.75 PTGS1 (0.43) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL9784599 0.73 ALDH1A1 (0.47) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL9077198 0.73 NPC1 (0.59) KMT2ANPC1RAB9AMEN1PTGS1
SCHEMBL14516372 0.72 PTGS1 (0.73) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL9367490 0.70 POLB (0.65) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL9834330 0.69 KMT2A (0.61) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL9370537 0.68 POLB (0.61) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL14891358 0.67 PTGS1 (0.48) POLBKMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4723031-A Processes for synthesizing substituted and unsubstituted aminoacetate esters CHEVRON RESEARCH COMPANY (US) 1988-02-02 US disclosed
US-4643762-A Herbicidal 5-amino-3-oxo-4-(3-substituted-phenyl)-4-pyrroline and derivatives thereof CHEVRON RESEARCH COMPANY (US) 1987-02-17 US disclosed