SCHEMBL11090756

SCHEMBL11090756

CCCCC(CC)CNc1cnc2c(cnn2-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
HPGD P15428 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
PFKFB3 Q16875 1/20 0.38
NPY5R Q15761 1/20 0.37
P2RX7 Q99572 1/20 0.36
MAPT P10636 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL11130485 0.81 KDM4E (0.47) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL11089283 0.74 KDM4E (0.54) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL11084613 0.73 NR3C1 (0.45) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL11131710 0.73 KDM4E (0.50) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL11090510 0.70 PDGFRB (0.55) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL11088612 0.70 LMNA (0.48) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL11092677 0.70 KDM4E (0.53) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL11092417 0.69 PDE5A (0.43) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL11089081 0.69 MAPT (0.59) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL11091891 0.69 LMNA (0.55) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1

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
US-4460773-A ANTITUMOR AGENTS, VIRICIDES LION CORPORATION (JP) 1984-07-17 US disclosed