SCHEMBL8970441

SCHEMBL8970441

N=c1c2ccccc2nc2n1CC(Cl)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.40
ALDH1A1 P00352 3/20 0.37
ACHE P22303 2/20 0.37
CYP1A2 P05177 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
ALOX15 P16050 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
GOPC Q9HD26 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL8970050 0.82 CCR3 (0.40) CCR3ALDH1A1ACHECYP1A2HSD17B10
SCHEMBL8969328 0.82 CCR3 (0.38) CCR3ALDH1A1ACHECYP1A2HSD17B10
SCHEMBL8969395 0.71 ACHE (0.38) CCR3ALDH1A1ACHECYP1A2HSD17B10
SCHEMBL3385589 0.70 ACHE (0.67) ALDH1A1ACHECYP1A2HSD17B10KDM4E
SCHEMBL8968931 0.70 ACHE (0.47) CCR3ALDH1A1ACHECYP1A2HSD17B10
SCHEMBL9541773 0.69 MEN1 (0.66) ALDH1A1ACHECYP1A2HSD17B10KDM4E
SCHEMBL9387899 0.68 MEN1 (0.68) ALDH1A1ACHECYP1A2HSD17B10KDM4E
SCHEMBL8969643 0.67 CCR3 (0.37) CCR3ALDH1A1ACHECYP1A2HSD17B10
SCHEMBL8970098 0.67 CCR3 (0.37) CCR3ALDH1A1ACHECYP1A2HSD17B10
SCHEMBL8969391 0.64 ACHE (0.47) CCR3ALDH1A1ACHECYP1A2HSD17B10

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