SCHEMBL7446405

SCHEMBL7446405

Cc1ccc(N)c(-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.44
PTGS1 P23219 4/20 0.44
EPHB4 P54760 2/20 0.43
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PIM1 P11309 1/20 0.40
SRC P12931 1/20 0.40
GSK3A P49840 1/20 0.40
IDO1 P14902 1/20 0.40
FYN P06241 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL3388331 0.83 PTGS2 (0.46) PTGS2PTGS1EPHB4CYP3A4ALDH1A1
SCHEMBL7445894 0.81 PTGS2 (0.42) PTGS2PTGS1EPHB4CYP3A4ALDH1A1
SCHEMBL7443976 0.80 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL15832034 0.80 PTGS2 (0.41) PTGS2PTGS1EPHB4PIM1SRC
SCHEMBL31161110 0.77 PTGS2 (0.58) PTGS2PTGS1EPHB4CYP3A4ALDH1A1
SCHEMBL397260 0.77 PTGS2 (0.58) PTGS2PTGS1EPHB4CYP3A4ALDH1A1
SCHEMBL27926878 0.77 SMN1; SMN2 (0.46) CYP3A4ALDH1A1TSHRPIM1SRC
SCHEMBL15832014 0.76 CYP11B2 (0.46) PTGS2PTGS1IDO1
SCHEMBL8227809 0.76 MEN1 (0.50) PTGS2SMN1; SMN2MEN1NPC1LMNA
SCHEMBL10713204 0.76 TDP1 (0.54) PTGS2PTGS1CYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed