SCHEMBL9147489

SCHEMBL9147489

O=C(c1ccc(F)cc1)c1ccc(C(=O)c2ccc(F)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
LTA4H P09960 1/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
BCL2L1 Q07817 1/20 0.45
BAD Q92934 1/20 0.45
DAO P14920 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
ALPG P10696 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL8308134 0.86 DAO (0.57) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL257372 0.86 DAO (0.57) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL27938589 0.82 HPGD (0.46) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL7814255 0.80 KMT2A (0.73) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL12551908 0.80 CES2 (0.70) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL1736339 0.80 LTA4H (0.73) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL8572071 0.80 LTA4H (0.73) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL238259 0.80 LTA4H (0.73) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL9725176 0.79 MAPT (0.64) RAB9ASMN1; SMN2CA1CA2HPGD
SCHEMBL30632245 0.78 LTA4H (0.70) NPC1RAB9ASMN1; SMN2CES2CES1

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
US-5420224-A Films and fibers with benzoxazole groups THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-05-30 US disclosed
US-5354836-A Polyarylene ether ketone, where at least one ring of the aromatic ketone unit is a thiophene ring THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-10-11 US disclosed
US-5266677-A Aromatic polyamides UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1993-11-30 US disclosed
EP-0500493-A1 Novel poly(arylene etherketones) CIBA-GEIGY AG (CH) 1992-08-26 EP disclosed