SCHEMBL11044141

SCHEMBL11044141

COc1ccc(NC(=O)Nc2ccc(NNC(=O)I)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.71
SMN1; SMN2 Q16637 7/20 0.71
NPC1 O15118 7/20 0.71
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 3/20 0.59
SAE1 Q9UBE0 1/20 0.59
UBA2 Q9UBT2 1/20 0.59
TP53 P04637 3/20 0.58
ESR2 Q92731 1/20 0.58
NOX1 Q9Y5S8 1/20 0.58
TSHR P16473 1/20 0.56
POLB P06746 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
PKM P14618 2/20 0.54
PTGS2 P35354 1/20 0.53

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
SCHEMBL11092496 0.84 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL11043258 0.81 ALDH1A1 (0.53) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL1897292 0.81 RAB9A (0.85) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL27307319 0.81 RAB9A (0.70) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL11048833 0.80 RAB9A (0.68) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL11047135 0.80 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL11047148 0.80 MAOA (0.63) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL17628550 0.79 RAB9A (0.88) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL11106394 0.78 RAB9A (0.85) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL26333815 0.78 RAB9A (0.78) RAB9ASMN1; SMN2NPC1MAPTMEN1

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-4481285-A IMPROVED SHAPPNESS AND EDGE EFFECTS FUJI PHOTO FILM CO., LTD. (JP) 1984-11-06 US disclosed