SCHEMBL11069726

SCHEMBL11069726

N=CNC(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PTPN1 P18031 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MITF O75030 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAOA P21397 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
SCHEMBL6744163 0.81 MEN1 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22915186 0.79 MEN1 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1344574 0.79 RAB9A (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3104280 0.76 MEN1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2287134 0.75 MAOA (0.68) RAB9AMEN1KMT2ASMN1; SMN2PTPN1
SCHEMBL5127523 0.75 MEN1 (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL296885 0.73 HDAC6 (0.60) MEN1KMT2APTPN1CES2CES1
SCHEMBL17151476 0.72 KMT2A (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24386065 0.72 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1883228 0.71 MEN1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4438136-A INHIBITION OF THROMBOXANE ACTIVITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-20 US disclosed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP disclosed