SCHEMBL7997897

SCHEMBL7997897

BrCCCCCn1cccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
TBXAS1 P24557 2/20 0.36
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
HTT P42858 5/20 0.33
LMNA P02545 3/20 0.33
GALR3 O60755 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
PAX8 Q06710 1/20 0.33
NR2F2 P24468 1/20 0.33

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
SCHEMBL537208 1.00 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL536256 1.00 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL536254 0.97 TP53 (0.39) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL27458343 0.86 TP53 (0.46) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL20465806 0.83 TP53 (0.48) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL28164781 0.80 TP53 (0.34) TP53NPC1RAB9AHTTLMNA
SCHEMBL691481 0.76 TP53 (0.48) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL5603811 0.74 NPC1 (0.57) TBXAS1NPC1RAB9AHTTLMNA
SCHEMBL536294 0.74 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL562381 0.74 NPC1 (0.57) TBXAS1NPC1RAB9AHTTLMNA

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-6284317-B1 PROVIDING SURFACE COMPRISING UNITS HAVING SILION-HYDROGEN BONDS; EXPOSING TO ORGANOMETALLIC REAGENT; FORMING A SILICON-CARBON BOND AT A TEMPERATURE OF LESS THAN ABOUT 25.DEGREE. C. AND FREE OF AN EXTERNAL ENERGY SOURCE MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-09-04 US disclosed