SCHEMBL7958356

SCHEMBL7958356

O=C(Cc1ccc(F)cc1)N1C=CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CTBP2 P56545 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28443837 0.69
SCHEMBL5575688 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL26179616 0.68 POLB (0.71) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL27347195 0.68 ALDH1A1 (0.39) POLBSMN1; SMN2MAPTALDH1A1IDO1
SCHEMBL3170967 0.67 SMN1; SMN2 (0.70) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL8908929 0.66 POLB (0.67) POLBSMN1; SMN2ME2ME1ME3
SCHEMBL526194 0.65 GAA (0.57) POLBSMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL8865924 0.65
SCHEMBL10664271 0.65
SCHEMBL4761631 0.65 KDM4E (0.32)

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-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed