SCHEMBL8969481

SCHEMBL8969481

N=c1c2cccc(Br)c2nc2n1CCCCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
STAT3 P40763 1/20 0.39
MAPK10 P53779 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
CCR3 P51677 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL8968919 0.99 ACHE (0.48) ACHEMEN1KMT2AHDAC6HPGD
SCHEMBL8968464 0.83 ACHE (0.50) ACHEMEN1KMT2AHDAC6HPGD
SCHEMBL8970389 0.83 ACHE (0.50) ACHEMEN1KMT2AHDAC6SMN1; SMN2
SCHEMBL8968353 0.83 ACHE (0.56) ACHEMEN1KMT2AHDAC6HPGD
SCHEMBL8969799 0.83 ACHE (0.53) ACHEMEN1KMT2AHDAC6HPGD
SCHEMBL8969167 0.82 NPC1 (0.49) ACHEMEN1KMT2AHDAC6HPGD
SCHEMBL8969172 0.82 ACHE (0.54) ACHEMEN1KMT2AHDAC6SMN1; SMN2
SCHEMBL8968236 0.82 ACHE (0.51) ACHEMEN1KMT2AHDAC6HPGD
SCHEMBL8968416 0.82 ACHE (0.48) ACHEMEN1KMT2AHDAC6SMN1; SMN2
SCHEMBL8969932 0.81 NPC1 (0.47) ACHEMEN1KMT2AHDAC6HPGD

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed