SCHEMBL20431317

SCHEMBL20431317

C1=CCC(Cc2nnc(N3CCNCC3)c3ccccc23)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMO Q99835 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL20431353 0.78 SMO (0.63) SMO
SCHEMBL20431404 0.77 SMO (0.64) SMO
SCHEMBL20431396 0.76 SMO (0.52) SMO
SCHEMBL20431298 0.74 SMO (0.42) SMO
SCHEMBL20431280 0.73 SMO (0.42) SMO
SCHEMBL2947725 0.71 MEN1 (0.74) MEN1KMT2AHTTNPSR1SMO
SCHEMBL175989 0.71 MEN1 (0.44) MEN1KMT2AHTTNPSR1SMO
SCHEMBL27812347 0.69 MEN1 (0.60) MEN1KMT2AHTTNPSR1SMO
SCHEMBL3646218 0.68 MEN1 (0.75) MEN1KMT2AHTTNPSR1SMO
SCHEMBL20431232 0.68 MEN1 (0.41) MEN1KMT2AHTTNPSR1SMO

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-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 — — EP disclosed
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