SCHEMBL14349674

SCHEMBL14349674

CC(C)c1ccc(N2C[C@@H]3CO[C@H]2C3)nc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.36
▸ PANK3 Q9H999 1/20 0.31
▸ CHRNA7 P36544 2/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ LCAT P04180 1/20 0.30

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
SCHEMBL18745857 0.76 MAP3K12 (0.46) —
SCHEMBL18745797 0.76 MAP3K12 (0.46) —
SCHEMBL26248564 0.75 ACACB (0.37) ACACBPANK3LCAT
SCHEMBL8082710 0.71 ACACB (0.38) ACACBPANK3LCAT
SCHEMBL21162008 0.70 ACACB (0.47) ACACBPANK3
SCHEMBL17693898 0.69 SMPD3 (0.42) ACACB
SCHEMBL14349206 0.69 SMPD3 (0.42) ACACB
SCHEMBL17693901 0.69 SMPD3 (0.42) ACACB
SCHEMBL23023563 0.69 ATR (0.43) ACACB
SCHEMBL11402871 0.67 ACACB (0.50) ACACBPANK3LCAT

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-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
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