SCHEMBL8969643

SCHEMBL8969643

N=c1c2ccccc2nc2n1C(Br)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.37
ACHE P22303 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GOPC Q9HD26 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP8 Q14790 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL8969395 0.83 ACHE (0.38) CCR3ACHEALDH1A1KDM4EALOX15
SCHEMBL8970098 0.82 CCR3 (0.37) CCR3ACHEALDH1A1KDM4EALOX15
SCHEMBL8970050 0.70 CCR3 (0.40) CCR3ACHEALDH1A1KDM4EALOX15
SCHEMBL3385589 0.67 ACHE (0.67) ACHEALDH1A1KDM4EALOX15USP2
SCHEMBL15160572 0.67 ALOX15 (0.52) ACHEALDH1A1KDM4EALOX15USP2
SCHEMBL9541773 0.66 MEN1 (0.66) ACHEALDH1A1KDM4EALOX15USP2
SCHEMBL14079628 0.65 CASP1 (0.60) ACHEALDH1A1KDM4EALOX15USP2
SCHEMBL926740 0.65 CASP1 (0.60) ACHEALDH1A1KDM4EALOX15USP2
SCHEMBL9387899 0.65 MEN1 (0.68) ACHEALDH1A1KDM4EALOX15USP2
SCHEMBL12862811 0.64 ALOX15 (0.49) ACHEALDH1A1KDM4EALOX15USP2

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