SCHEMBL19903890

SCHEMBL19903890

CNC(c1ccccc1)c1cccc(OCc2ccc(C=O)c(OC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
TUBB1 Q9H4B7 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
BCHE P06276 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CHRM3 P20309 3/20 0.39
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL19903853 0.82 MAOB (0.56) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL19984615 0.81 MAOB (0.61) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL19984677 0.75 RXRA (0.57) MAOBCHRM3SMN1; SMN2KMT2A
SCHEMBL435043 0.75 ALDH1A1 (0.61) ERN1TUBB1NPC1RAB9ATDP1
SCHEMBL6690276 0.74 ALDH1A1 (0.65) ERN1TUBB1NPC1RAB9ATDP1
SCHEMBL1134404 0.72 ALDH1A1 (0.54) ERN1NPC1RAB9ATDP1ALDH1A1
SCHEMBL27749976 0.72 CASR (0.53) TDP1KMT2A
SCHEMBL5885604 0.71 ALDH1A1 (0.68) ERN1TUBB1NPC1RAB9ATDP1
SCHEMBL25222497 0.71 TUBB1 (0.55) ERN1TUBB1NPC1RAB9ATDP1
SCHEMBL16697221 0.70 RAB9A (0.46) ERN1NPC1RAB9ATDP1MAOB

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-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 EP disclosed