SCHEMBL8071736

SCHEMBL8071736

Cc1c(N)cc(N)cc1C(=O)NC[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 9/20 0.38
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX1 P07099 1/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 2/20 0.32
ALOX15 P16050 2/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EZH2 Q15910 1/20 0.31

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
SCHEMBL7560739 0.76 P2RX7 (0.55) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7864022 0.72 P2RX7 (0.46) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL7568584 0.71 P2RX7 (0.62) MEN1KMT2AALDH1A1HSD17B10P2RX7
SCHEMBL28045274 0.68 CYP2D6 (0.38) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL8081000 0.67 CA1 (0.55) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL7592357 0.66 HPGD (0.54) HPGDALDH1A1CYP1A2POLBSMN1; SMN2
SCHEMBL7518675 0.66 ESRRB (0.49) TDP1HPGDPOLBP2RX7
SCHEMBL7658512 0.66 P2RX7 (0.54) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL2809942 0.65 KDM4E (1.00) KDM4EMEN1KMT2ATDP1HPGD
SCHEMBL7555910 0.65 POLB (0.43) KDM4EMEN1KMT2AHPGDALDH1A1

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
EP-1036059-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029661-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed