SCHEMBL7972508

SCHEMBL7972508

CCOc1ncccc1C(=O)NCCNCCN

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
LMNA P02545 4/20 0.59
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 3/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
HCRTR1 O43613 2/20 0.50
HTT P42858 1/20 0.49
PPARG P37231 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL7972503 0.86 KMT2A (0.60) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL17063917 0.80 NPC1 (0.64) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL10073073 0.79 KMT2A (0.80) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL11418358 0.76 HTT (0.58) HPGDTSHRNPC1HCRTR1HTT
SCHEMBL4724490 0.73 L3MBTL1 (0.58) LMNAHPGDSMN1; SMN2L3MBTL1TSHR
SCHEMBL6360387 0.73 GAA (0.57) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL10073070 0.72 LMNA (0.80) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL123523 0.72 L3MBTL1 (0.64) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL12113209 0.72 NPC1 (0.61) LMNAHPGDSMN1; SMN2L3MBTL1TSHR
SCHEMBL558028 0.72 KMT2A (0.66) KMT2AMEN1LMNAHPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO claimed
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO disclosed