SCHEMBL11622375

SCHEMBL11622375

CCCCNc1c(N)c(N)nc(C)c1C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ TSHR P16473 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ GMNN O75496 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ THPO P40225 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ KMT2A Q03164 1/20 0.57

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
SCHEMBL11626377 0.86 LMNA (0.54) LMNAHSD17B10TSHRTP53SMN1; SMN2
SCHEMBL11791163 0.85 LMNA (0.53) LMNAHSD17B10TSHRTP53SMN1; SMN2
SCHEMBL11796025 0.85 TLR8 (0.44) LMNAHSD17B10TSHRTP53SMN1; SMN2
SCHEMBL11626843 0.83 MAPT (0.51) LMNAHSD17B10TSHRTP53SMN1; SMN2
SCHEMBL11625245 0.82 LMNA (0.50) LMNAHSD17B10TSHRTP53SMN1; SMN2
SCHEMBL11727584 0.80 LMNA (0.49) LMNAHSD17B10TSHRTP53SMN1; SMN2
SCHEMBL11796088 0.76 LMNA (0.54) LMNAHSD17B10TSHRTP53SMN1; SMN2
SCHEMBL11624572 0.76 LMNA (0.54) LMNAHSD17B10TSHRTP53SMN1; SMN2
SCHEMBL11791205 0.75 ALDH1A1 (0.43) LMNAHSD17B10TSHRTP53SMN1; SMN2
SCHEMBL11810062 0.75 MAPT (0.41) LMNAHSD17B10TSHRTP53SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4070362-A CNS DEPRESSANTS, ANTIINFLAMMATORY AGENTS, CYCLIC 3', 5'-AMP STIMULANTS E. R. SQUIBB & SONS, INC. (US) 1978-01-24 — — US disclosed
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