SCHEMBL16649296

SCHEMBL16649296

CCCC(N)c1ccc(OC)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
KDM1A O60341 2/20 0.40
PDE2A O00408 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
TUBB1 Q9H4B7 2/20 0.38
FFAR1 O14842 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29572058 1.00 TAS1R3 (0.48) TAS1R3TAS1R1KDM1APDE2ALMNA
SCHEMBL13075501 0.87 KDM1A (0.41) TAS1R3TAS1R1KDM1APDE2ALMNA
SCHEMBL16649931 0.87 KDM1A (0.41) TAS1R3TAS1R1KDM1APDE2ALMNA
Hydrochloric Acid SCHEMBL15518191 0.85 KDM1A (0.41) TAS1R3TAS1R1KDM1APDE2ALMNA
Hydrochloric Acid SCHEMBL15511619 0.85 KDM1A (0.41) TAS1R3TAS1R1KDM1APDE2ALMNA
SCHEMBL13981506 0.85 ACHE (0.47) LMNAMEN1KMT2A
SCHEMBL28103261 0.85 ACHE (0.47) LMNAMEN1KMT2A
SCHEMBL22350128 0.83 TAS1R3 (0.50) TAS1R3TAS1R1KDM1ALMNAMAPK1
SCHEMBL20969630 0.83 KDM1A (0.41) TAS1R3TAS1R1KDM1APDE2ALMNA
SCHEMBL20729406 0.82 TAS1R3 (0.49) TAS1R3TAS1R1LMNAMAPK1HTT

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-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed