SCHEMBL21101291

SCHEMBL21101291

FC(F)(F)Oc1ccc2nccc(I)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
SLC6A2 P23975 1/20 0.41
SCN4A P35499 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL3702216 0.81 TRPV1 (0.46) AAK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5236189 0.81 SMN1; SMN2 (0.55) AAK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4271192 0.81 NR4A2 (0.51) AAK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16289934 0.81 NPC1 (0.41) AAK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2209996 0.81 TRPV1 (0.43) AAK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30880730 0.81 TRPV1 (0.43) AAK1NPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL30880572 0.79 NPC1 (0.42) AAK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20460397 0.79 RUNX1 (0.54) AAK1LMNARUNX1MAPK1KDM4E
SCHEMBL18544268 0.78 KDM4E (0.60) LMNACYP1A2MAPK1KDM4E
SCHEMBL15129852 0.76 LMNA (0.68) SMN1; SMN2LMNATP53CYP1A2HSD17B10

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
EP-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed