SCHEMBL8968919

SCHEMBL8968919

N=c1c2cccc(Br)c2nc2n1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
CFTR P13569 1/20 0.38
ALOX15 P16050 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GOPC Q9HD26 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR3 P51677 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL8969481 0.99 ACHE (0.50) ACHEMEN1KMT2AHDAC6HRH4
SCHEMBL8968236 0.83 ACHE (0.51) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969172 0.83 ACHE (0.54) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968416 0.83 ACHE (0.48) ACHEMEN1KMT2AHDAC6HRH4
SCHEMBL8969932 0.82 NPC1 (0.47) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8970389 0.82 ACHE (0.50) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968464 0.82 ACHE (0.50) ACHEMEN1KMT2AHDAC6HRH4
SCHEMBL8969799 0.82 ACHE (0.53) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8968353 0.82 ACHE (0.56) ACHEMEN1KMT2AHDAC6ALDH1A1
SCHEMBL8969167 0.81 NPC1 (0.49) ACHEMEN1KMT2AHDAC6ALDH1A1

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed