SCHEMBL10074055

SCHEMBL10074055

Cc1ccc2c(C(=O)C(C)C)nn(CC(=O)C(C)(C)C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 6/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GRIN2B Q13224 3/20 0.34
PTGER1 P34995 1/20 0.33
NPC1 O15118 2/20 0.33
MITF O75030 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
GPR139 Q6DWJ6 1/20 0.32
BRD4 O60885 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL2208705 0.85 SSTR5 (0.43) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL21946568 0.84 ROCK1 (0.37) CFDKMT2AMEN1ALDH1A1PTGER1
SCHEMBL25940512 0.71 CFD (0.37) CFDKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2212451 0.71 SSTR5 (0.49) KMT2AMEN1ALDH1A1PTGER1RAB9A
SCHEMBL17321437 0.71 P2RX7 (0.39) KMT2AMEN1PTGER1BRD4
SCHEMBL13844069 0.71 HTR3A (0.41) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL3957542 0.71 HTR3A (0.41) ALDH1A1GPR139
SCHEMBL17452687 0.71 PDGFRA (0.38) PTGER1
SCHEMBL15541535 0.70 CFD (0.48) CFDKMT2AMEN1RAB9A
SCHEMBL2212756 0.70 SSTR5 (0.42) KMT2AMEN1ALDH1A1

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-1562909-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK SHARP & DOHME (US) 2012-06-27 EP disclosed