SCHEMBL17875401

SCHEMBL17875401

Cc1cc(Cc2cc(C)c(C)c(C(O)(C(F)(F)F)C(F)(F)F)c2)cc(C(O)(C(F)(F)F)C(F)(F)F)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SHBG P04278 1/20 0.35
AR P10275 3/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL17875406 0.88 SMN1; SMN2 (0.33) SMN1; SMN2MEN1MAPK1KMT2AALOX15
SCHEMBL15831660 0.84 AR (0.39) SHBGARESR1ESR2HMGB1
SCHEMBL15733061 0.82 SMN1; SMN2 (0.45) SMN1; SMN2MEN1MAPK1KMT2AALOX15
SCHEMBL16838071 0.80 AR (0.36) SHBGARESR1ESR2HMGB1
SCHEMBL15958204 0.79 MEN1 (0.49) SMN1; SMN2MEN1MAPK1KMT2AALOX15
SCHEMBL17875399 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MEN1MAPK1KMT2AALOX15
SCHEMBL15957881 0.77 SMN1; SMN2 (0.42) SMN1; SMN2MEN1MAPK1KMT2AALOX15
SCHEMBL15957892 0.76 SMN1; SMN2 (0.49) SMN1; SMN2MEN1MAPK1KMT2AALOX15
SCHEMBL13199118 0.71 TPMT (0.39) SMN1; SMN2ALOX15TSHRHSD17B10AR
SCHEMBL15957883 0.71 SMN1; SMN2 (0.50) SMN1; SMN2MEN1MAPK1KMT2AALOX15

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-2716351-B1 GAS SEPARATION MEMBRANE CENTRAL GLASS CO LTD (JP) 2016-06-29 EP disclosed