SCHEMBL17613784

SCHEMBL17613784

Cc1c2c([nH]c3ccc(F)cc32)c(O)c2[nH]c3ccc(F)cc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KIF11 P52732 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
JAK2 O60674 5/20 0.43
KIT P10721 2/20 0.43
PDGFRA P16234 2/20 0.43
FGFR3 P22607 2/20 0.43
METAP2 P50579 1/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 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
SCHEMBL12968601 0.83 CDK5 (0.50) CDK5CDK5R1MAPTALDH1A1NPC1
SCHEMBL3460583 0.81 KIF11 (0.44) CDK5CDK5R1MAPTALDH1A1RAB9A
SCHEMBL17613793 0.79 ACHE (0.47) CDK5CDK5R1MAPTALDH1A1NPC1
SCHEMBL23223694 0.76 JAK2 (0.43) CDK5CDK5R1MAPTALDH1A1KMT2A
SCHEMBL15201968 0.76 MAPT (0.58) CDK5CDK5R1MAPTALDH1A1KMT2A
SCHEMBL1920809 0.75 KIF11 (0.56) CDK5CDK5R1MAPTALDH1A1NPC1
SCHEMBL14255879 0.75 KMT2A (0.55) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL17613802 0.74 JAK2 (0.44) CDK5CDK5R1KMT2AJAK2MEN1
SCHEMBL7123791 0.73 KEAP1 (0.54) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL20865127 0.73 KIF11 (0.47) CDK5CDK5R1MAPTALDH1A1NPC1

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-2326327-B1 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION STANFORD RES INST INT (US) 2016-03-23 EP disclosed