SCHEMBL9771408

SCHEMBL9771408

Cc1ccc(CN2C(=O)[C@H]3COC(c4ccccc4)N3C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ EP300 Q09472 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ RGS4 P49798 1/20 0.39
▸ RGS8 P57771 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CTSG P08311 1/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ CTRC Q99895 1/20 0.39
▸ LMNA P02545 2/20 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
SCHEMBL9771422 0.91 EP300 (0.49) KMT2AMAPTMEN1EP300POLB
SCHEMBL9771337 0.87 CMA1 (0.50) KMT2AMEN1HDAC6EP300ALDH1A1
SCHEMBL9771342 0.84 POLB (0.46) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL9826922 0.79 RAB9A (0.47) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL9771335 0.77 ADORA2A (0.48) KMT2AMEN1EP300POLBALDH1A1
SCHEMBL9771405 0.77 TP53 (0.53) KMT2AMAPTMEN1HDAC6POLB
SCHEMBL9827539 0.77 ALDH1A1 (0.36) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL9771318 0.73 TSHR (0.33) KMT2AALDH1A1LMNA
SCHEMBL9771431 0.71 TRPM8 (0.39) KMT2AMAPTMEN1HDAC6ALDH1A1
SCHEMBL9827209 0.69 POLB (0.46) KMT2AMEN1POLBALDH1A1TP53

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-5068341-A OPTICALLY ACTIVE HYDANTOINS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 — — US disclosed
Send feedback