SCHEMBL19984057

SCHEMBL19984057

COc1ccc(Nc2ccc3c(C(=O)N(C)C)cn(Sc4cccc(C(F)(F)F)c4)c3c2)c(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MPO P05164 3/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LRRK2 Q5S007 1/20 0.34
APP P05067 1/20 0.33
PPARG P37231 1/20 0.33
SLC20A2 Q08357 1/20 0.33
SLC20A1 Q8WUM9 1/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
TNNI3K Q59H18 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
SCHEMBL19984219 0.85 SLC6A2 (0.36) NPC1MAPTAPP
SCHEMBL16619023 0.84 HDAC1 (0.43) AKR1C3AKR1C2NPC1MAPTMPO
SCHEMBL19984289 0.80 NR1I2 (0.39) NPC1MAPTAPPKDRMAPK14
SCHEMBL19984191 0.78 CYP3A4 (0.40) MAPTMPOCYP3A4CYP2D6CYP2C9
SCHEMBL16618751 0.74 SLC20A2 (0.43) AKR1C3AKR1C2NPC1MAPTMPO
SCHEMBL16618626 0.73 HDAC1 (0.40) MEN1KMT2A
SCHEMBL19984020 0.72 MTNR1A (0.33)
SCHEMBL19983902 0.72 MTNR1A (0.33) NPC1KMT2A
SCHEMBL16619006 0.71 RORC (0.40) AKR1C3AKR1C2NPC1MAPTPPARG
SCHEMBL16618638 0.71 HTR6 (0.42) MAPTAPPSLC20A2SLC20A1

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed