SCHEMBL19333097

SCHEMBL19333097

COc1cc(C2CCNc3c2cnn3-c2cccc(C)c2C)cc(OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TP53 P04637 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TNF P01375 4/20 0.35
▸ NOD1 Q9Y239 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34

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
SCHEMBL19333109 0.89 MEN1 (0.36) KDM4EGAAALDH1A1ALOX15MAPK1
SCHEMBL8736028 0.83 TP53 (0.52) KDM4EGAATP53ALDH1A1ALOX15
SCHEMBL19333096 0.81 SLC2A1 (0.37) KDM4EGAATP53KMT2AMAPT
SCHEMBL8737620 0.72 TUBB4A (0.47) GAATP53KMT2ALMNASMN1; SMN2
SCHEMBL19937876 0.70 TP53 (0.46) GAATP53ALDH1A1MAPK1KMT2A
SCHEMBL8736025 0.64 TP53 (0.52) GAATP53ALDH1A1MAPK1KMT2A
SCHEMBL8734880 0.64 TP53 (0.52) KDM4EGAATP53ALDH1A1KMT2A
SCHEMBL8736001 0.63 TP53 (0.56) KDM4EGAATP53ALDH1A1MAPK1
SCHEMBL15308262 0.62 CFTR (0.39) TP53MAPK1POLBTNFNOD1
SCHEMBL25492192 0.60 GAA (0.51) GAATP53MEN1KMT2ASMN1; SMN2

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
US-9757381-B2 Compounds, compositions and methods useful for cholesterol mobilization CERENIS THERAPEUTICS HOLDING SA (FR) 2017-09-12 — — US disclosed
Send feedback