SCHEMBL8969328

SCHEMBL8969328

CC1Cc2nc3ccccc3c(=N)n2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 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
ALOX15 P16050 1/20 0.37
ACHE P22303 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
GOPC Q9HD26 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 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
SCHEMBL8970050 0.82 CCR3 (0.40) CCR3KDM4EALDH1A1HSD17B10TDP1
SCHEMBL8970441 0.82 CCR3 (0.40) CCR3KDM4EALDH1A1HSD17B10TDP1
SCHEMBL3385589 0.70 ACHE (0.67) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL8970098 0.70 CCR3 (0.37) CCR3KDM4EALDH1A1HSD17B10TDP1
SCHEMBL8970476 0.70 ACHE (0.47) CCR3KDM4EHSD17B10USP2BCHE
SCHEMBL9541773 0.69 MEN1 (0.66) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL9387899 0.68 MEN1 (0.68) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL9994546 0.66 IP6K1 (0.42) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL6922641 0.66 IP6K1 (0.42) KDM4EALDH1A1HSD17B10TDP1USP2
SCHEMBL8969395 0.65 ACHE (0.38) CCR3KDM4EALDH1A1HSD17B10TDP1

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