SCHEMBL4586310

SCHEMBL4586310

O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KCNK3 O14649 3/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
KCNK9 Q9NPC2 2/20 0.52
PTPN1 P18031 1/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SIRT1 Q96EB6 1/20 0.50
GAA P10253 1/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50

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
SCHEMBL14716260 0.89 TSHR (0.56) TSHRNPSR1RAB9ANPC1KMT2A
SCHEMBL16592204 0.89 RAB9A (0.51) TSHRNPSR1RAB9ANPC1KMT2A
SCHEMBL15410033 0.86 NPC1 (0.54) TSHRNPSR1RAB9ANPC1KMT2A
SCHEMBL16589426 0.86 NPSR1 (0.51) TSHRNPSR1RAB9ANPC1KMT2A
SCHEMBL7363838 0.82 KMT2A (0.59) RAB9ANPC1KMT2AMEN1KCNK3
SCHEMBL2915005 0.80 TSHR (0.56) TSHRNPSR1RAB9AKMT2AMEN1
SCHEMBL11634323 0.80 NPC1 (0.50) RAB9ANPC1KMT2AMEN1KCNK3
SCHEMBL17803643 0.79 RAB9A (0.58) RAB9ANPC1KMT2AMEN1KCNK3
SCHEMBL22120885 0.77 HDAC1 (0.56) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL4039962 0.75 KMT2A (0.58) RAB9ANPC1KMT2AMEN1KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814890-A4 ISOTACTIC POLYPROPYLENE CONTAINING POLYMERS CORNELL RES FOUNDATION INC (US) 2008-10-08 EP disclosed
US-7300994-B2 Isotactic polypropylene containing polymers CORNELL RESEARCH FOUNDATION, INC. (US) 2007-11-27 US disclosed
EP-1814890-A2 ISOTACTIC POLYPROPYLENE CONTAINING POLYMERS CORNELL RESEARCH FOUNDATION, INC. (US) 2007-08-08 EP disclosed
WO-2006057850-A2 ISOTACTIC POLYPROPYLENE CONTAINING POLYMERS CORNELL RESEARCH FOUNDATION, INC. (US) 2006-06-01 WO disclosed
US-20060111528-A1 Isotactic polypropylene containing polymers CORNELL RESEARCH FOUNDATION INC. (US) 2006-05-25 US disclosed