SCHEMBL7710033

SCHEMBL7710033

CCN(Cc1ccccc1)c1ccc(-c2cccc(N[S+]([O-])C(F)(F)F)c2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
NR3C1 P04150 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 3/20 0.32
ACP1 P24666 1/20 0.32
CNR1 P21554 1/20 0.32
MAPT P10636 1/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL692774 0.80 NR3C1 (0.44) ENPP2TP53NPC1RAB9ANR3C1
SCHEMBL692966 0.78 NR3C1 (0.56) TP53NPC1USP2RAB9ASMN1; SMN2
SCHEMBL692379 0.76 PRMT6 (0.43) ENPP2TP53SMN1; SMN2NR3C1TSHR
SCHEMBL1369219 0.75 ENPP2 (0.42) ENPP2ESR1ESR2TP53NPC1
SCHEMBL692541 0.75 NPC1 (0.53) TP53NPC1USP2RAB9ASMN1; SMN2
SCHEMBL692595 0.72 TP53 (0.45) TP53NPC1RAB9AMAPT
SCHEMBL3242528 0.69 ENPP2 (0.45) ENPP2ESR1ESR2TP53NPC1
SCHEMBL1369562 0.68 TP53 (0.40) ENPP2TP53SMN1; SMN2MAPT
SCHEMBL1367936 0.63 TSHR (0.51) ENPP2TP53SMN1; SMN2NR1H2NR1H3
SCHEMBL21326414 0.63 ALDH1A1 (0.36) RAB9ATSHRMAPT

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-2011133600-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE SULFONAMIDE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-10-27 WO disclosed
WO-2010123822-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE SULFONAMIDE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-10-28 WO disclosed