SCHEMBL2787802

SCHEMBL2787802

Cc1oncc1OC(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
RAB9A P51151 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
HTR1A P08908 1/20 0.48
THRB P10828 1/20 0.48
PIM1 P11309 1/20 0.48
MAOA P21397 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
AGTR1 P30556 1/20 0.48
CCKBR P32239 1/20 0.48
MC4R P32245 1/20 0.48

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
SCHEMBL7783570 0.86 DHODH (0.63) DHODHRAB9ACYP3A4CYP2C9SMN1; SMN2
SCHEMBL1826746 0.82 RAB9A (0.73) DHODHRAB9ACYP3A4CYP2C9SMN1; SMN2
SCHEMBL2787428 0.82 MAPT (0.44) DHODHRAB9ACYP3A4CYP2C9SMN1; SMN2
SCHEMBL2784670 0.82 IL2 (0.44) CYP1A2HTR2AKDRTEKIL2
SCHEMBL2785720 0.82 KDR (0.38) RAB9ACYP3A4CYP2C9SMN1; SMN2NPSR1
SCHEMBL2785179 0.82 MAPT (0.44) RAB9ASMN1; SMN2NPSR1NPC1LMNA
SCHEMBL2784731 0.81 KDM4E (0.40) DHODHRAB9ACYP3A4CYP2C9SMN1; SMN2
SCHEMBL2785065 0.80 TRPV1 (0.45) NPSR1HTR2ATRPV1MAPT
SCHEMBL2784884 0.79 IL2 (0.42) PIM1KDRFLT3KITPDGFRB
SCHEMBL2785601 0.78 RAB9A (0.45) RAB9ACYP3A4CYP2C9SMN1; SMN2NPSR1

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
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 EP claimed