SCHEMBL9846309

SCHEMBL9846309

CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1CCO

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL9455992 0.92 HCAR2 (0.33) FABP4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9846072 0.88 TYMS (0.32) FABP4MEN1ALDH1A1HPGDKMT2A
L-697661 SCHEMBL599639 0.85 FABP4 (0.34) FABP4MEN1ALDH1A1HPGDKMT2A
L-697661 SCHEMBL29456987 0.85 FABP4 (0.34) FABP4MEN1ALDH1A1HPGDKMT2A
SCHEMBL9680329 0.78 PTGES (0.31)
SCHEMBL9171193 0.77 FABP4 (0.34) FABP4
SCHEMBL9681878 0.77 KMT2A (0.35) MEN1ALDH1A1HPGDKMT2AHCAR2
SCHEMBL9601892 0.76 ALDH1A1 (0.36) MEN1ALDH1A1HPGDKMT2AGLA
SCHEMBL9680865 0.76 NPC1 (0.33) NPC1
SCHEMBL9846215 0.76 FABP4 (0.31) FABP4

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed