SCHEMBL9016041

SCHEMBL9016041

Cc1c(N)cccc1C(F)(c1cccc(N)c1C)C(F)(F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
TSHR P16473 2/20 0.48
PIK3CA P42336 1/20 0.48
ALDH1A1 P00352 3/20 0.41
CD44 P16070 1/20 0.34
ESR1 P03372 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL6313614 0.82 SMN1; SMN2 (0.38) CYP3A4TSHRPIK3CASMN1; SMN2
SCHEMBL9617287 0.82 CD44 (0.38) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL8165870 0.80 CYP3A4 (0.52) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL9770161 0.80 TRPA1 (0.41) TSHRALDH1A1SMN1; SMN2
SCHEMBL1964819 0.79 SMN1; SMN2 (0.39) CYP3A4TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL330603 0.79 TSHR (0.56) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL27390124 0.78 CYP3A4 (0.54) CYP3A4TSHRPIK3CAALDH1A1CD44
Benzene SCHEMBL28248705 0.78 TSHR (0.54) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL6004099 0.78 SMN1; SMN2 (0.38) CYP3A4TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL689226 0.77 MMP2 (0.37) CYP3A4TSHRALDH1A1SMN1; SMN2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552058-B1 Method of producing multi-layered wiring substrate FUJITSU LTD (JP) 1996-12-18 EP disclosed
US-5349155-A Impregnating PTFE with thermosetting polybenzocyclobutene FUJITSU LIMITED (JP) 1994-09-20 US disclosed
EP-0552058-A1 Method of producing multi-layered wiring substrate FUJITSU LIMITED (JP) 1993-07-21 EP disclosed