SCHEMBL7736113

SCHEMBL7736113

FC(F)(F)c1ccc(Oc2[c]cccc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.47
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
LIPE Q05469 8/20 0.43
BCHE P06276 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL921640 0.77 KMT2A (0.59) KMT2ATSHRSMN1; SMN2HPGDPOLB
SCHEMBL5543276 0.76 ALDH1A1 (0.40) KMT2ATSHRL3MBTL1RAB9A
SCHEMBL9507549 0.76 MAPK1 (0.64) KMT2ATSHRSMN1; SMN2HPGDPOLB
SCHEMBL15009607 0.74 CYP1A2 (0.59) KMT2ASMN1; SMN2HPGDPOLBMAPT
SCHEMBL30435803 0.74 KMT2A (0.68) KMT2ATSHRSMN1; SMN2HPGDPOLB
SCHEMBL11001462 0.74 KMT2A (0.68) KMT2ATSHRSMN1; SMN2HPGDPOLB
SCHEMBL11351938 0.73 MAPT (0.69) KMT2ATSHRSMN1; SMN2HPGDMAPT
SCHEMBL921136 0.73 MAPT (0.57) KMT2ATSHRSMN1; SMN2HPGDMAPT
SCHEMBL10495486 0.72 KMT2A (0.70) KMT2ATSHRSMN1; SMN2HPGDPOLB
SCHEMBL17440373 0.72 KMT2A (0.70) KMT2ATSHRSMN1; SMN2HPGDPOLB

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-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US claimed