SCHEMBL7960829

SCHEMBL7960829

O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)c1cccnc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
CDK4 P11802 2/20 0.63
CCND1 P24385 2/20 0.63
GAA P10253 2/20 0.59
HPGD P15428 1/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
PTGS2 P35354 1/20 0.54
SSTR3 P32745 1/20 0.53
LMNA P02545 1/20 0.52
SIRT1 Q96EB6 1/20 0.50

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
Nicotredole SCHEMBL29454469 0.87 MEN1 (1.00) MEN1KMT2ACDK4CCND1GAA
Nicotredole SCHEMBL735897 0.87 MEN1 (1.00) MEN1KMT2ACDK4CCND1GAA
SCHEMBL7976825 0.83 SMN1; SMN2 (0.71) MEN1KMT2AGAAHPGDALDH1A1
SCHEMBL7972279 0.79 SMN1; SMN2 (0.66) MEN1KMT2AGAAHPGDALDH1A1
SCHEMBL28167913 0.78 ALDH1A1 (0.64) MEN1KMT2ARAB9AALDH1A1GLA
Nicotredole SCHEMBL17824507 0.78 MEN1 (0.81) MEN1KMT2ACDK4CCND1GAA
SCHEMBL10069200 0.77 AANAT (0.77) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1849735 0.77 LMNA (0.65) MEN1KMT2AGAAHPGDRAB9A
Behenic Acid SCHEMBL4075758 0.76 MEN1 (0.76) MEN1KMT2ACDK4CCND1GAA
SCHEMBL13942359 0.76 CDK4 (0.83) MEN1KMT2ACDK4CCND1GAA

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