SCHEMBL11244951

SCHEMBL11244951

O=C(C=Cc1ccc(N2CCCCC2)cc1)C=Cc1ccc(N2CCCCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.96
FGFR1 P11362 1/20 0.64
CTSL P07711 4/20 0.63
CTSB P07858 4/20 0.63
MAPT P10636 4/20 0.59
ACHE P22303 2/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
KMT2A Q03164 2/20 0.57
TRIM24 O15164 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
ESR1 P03372 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52

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
SCHEMBL11252325 0.98 PTGS2 (1.00) PTGS2FGFR1CTSLCTSBMAPT
SCHEMBL28388738 0.88 PTGS2 (0.76) PTGS2CTSLCTSBMAPTACHE
SCHEMBL2025033 0.86 PTGS2 (0.73) PTGS2FGFR1CTSLCTSBMAPT
SCHEMBL3742436 0.86 PTGS2 (0.73) PTGS2FGFR1CTSLCTSBMAPT
SCHEMBL7452771 0.86 PTGS2 (0.77) PTGS2FGFR1CTSLCTSBMAPT
SCHEMBL7452784 0.86 PTGS2 (0.77) PTGS2FGFR1CTSLCTSBMAPT
SCHEMBL18694770 0.85 PTGS2 (0.71) PTGS2FGFR1CTSLCTSBMAPT
SCHEMBL18694771 0.85 PTGS2 (0.71) PTGS2FGFR1CTSLCTSBMAPT
SCHEMBL11264997 0.84 PTGS2 (0.75) PTGS2FGFR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2028825 0.84 PTGS2 (0.75) PTGS2FGFR1CTSLCTSBMAPT

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
US-4315982-A Styryl pyrazoline compounds, process for production thereof, and electrophoto graphic material comprising said compounds COPYER CO., LTD. (JP) 1982-02-16 US disclosed