SCHEMBL10069137

SCHEMBL10069137

O=C(Nc1ccc(F)cc1)Nc1cccc(S)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
CNR1 P21554 2/20 0.58
MTOR P42345 1/20 0.55
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
TAAR1 Q96RJ0 1/20 0.53
RAB9A P51151 9/20 0.53
NPC1 O15118 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 2/20 0.52
TP53 P04637 2/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL10069138 0.83 CA12 (0.60) CA12CA1CA2CA9CNR1
SCHEMBL21133085 0.82 MEN1 (0.78) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL31078919 0.81 BAZ1A (0.69) CA12CA1CA2CA9CNR1
SCHEMBL10069070 0.81 ALDH1A1 (0.72) CA12CA1CA2CA9KMT2A
SCHEMBL30995905 0.80 CA12 (0.60) CA12CA1CA2CA9CNR1
SCHEMBL12218028 0.80 CA12 (0.60) CA12CA1CA2CA9CNR1
SCHEMBL11007034 0.80 MEN1 (0.79) CA12CA1CA2CA9CNR1
SCHEMBL11056635 0.80 SMN1; SMN2 (0.74) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL3070329 0.80 KMT2A (0.76) CA12CA1CA2CA9KMT2A
SCHEMBL4920556 0.79 HPSE (0.72) CA12CA1CA2CA9CNR1

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-2012021963-A1 NOVEL SULFONAMIDE COMPOUNDS FOR INHIBITION OF METASTATIC TUMOR GROWTH METASIGNAL THERAPEUTICS INC. (CA) 2012-02-23 WO disclosed