SCHEMBL7972503

SCHEMBL7972503

CCOc1ncccc1C(=O)NCCNCC(N)=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
HPGD P15428 3/20 0.57
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 3/20 0.52
NPC1 O15118 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
HCRTR1 O43613 1/20 0.49
HTT P42858 1/20 0.48
PPARG P37231 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL7972508 0.86 KMT2A (0.61) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL17063917 0.79 NPC1 (0.64) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL10073073 0.78 KMT2A (0.80) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL4724490 0.75 L3MBTL1 (0.58) HPGDLMNASMN1; SMN2TSHRNPC1
SCHEMBL10073070 0.74 LMNA (0.80) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL5812840 0.72 CNR2 (0.59) HPGDL3MBTL1ALDH1A1GAA
SCHEMBL6360387 0.72 GAA (0.57) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL5717635 0.71 ALDH1A1 (0.73) KMT2AALDH1A1GAAHTT
SCHEMBL123523 0.71 L3MBTL1 (0.64) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL12113209 0.71 NPC1 (0.61) HPGDLMNASMN1; SMN2TSHRNPC1

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