SCHEMBL9706938

SCHEMBL9706938

CCn1nccc1NC(=O)Nc1ccccc1.CCn1nccc1NC(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
KMT2A Q03164 3/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
MEN1 O00255 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
AURKA O14965 2/20 0.47
POLB P06746 1/20 0.47
KCNJ6 P48051 1/20 0.47
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MAPK13 O15264 3/20 0.46

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
SCHEMBL1982137 1.00 TAAR1 (0.50) TAAR1SMN1; SMN2TP53TSHREPHX1
SCHEMBL3766193 0.81 RAB9A (0.48) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL13235065 0.80 KMT2A (0.73) TAAR1SMN1; SMN2TP53TSHREPHX1
SCHEMBL13170046 0.78 MEN1 (0.46) SMN1; SMN2TSHRKMT2ANPC1RAB9A
SCHEMBL6360441 0.76 MEN1 (0.44) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL19732074 0.76 TSHR (0.59) TAAR1SMN1; SMN2TP53TSHREPHX1
SCHEMBL13850731 0.74 MEN1 (0.43) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL2243691 0.73 MEN1 (0.40) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL4125524 0.73 PKM (0.55) SMN1; SMN2EPHX1EPHX2ATMALDH1A1
SCHEMBL222210 0.73 KMT2A (0.42) SMN1; SMN2KMT2ANPC1RAB9AMEN1

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
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed