SCHEMBL27458708

SCHEMBL27458708

Cc1nn(-c2ccccc2)c(C=O)c1C(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ POLB P06746 3/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ ABCB1 P08183 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 6/20 0.46
▸ KDM4C Q9H3R0 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL28301878 0.82 ABCB1 (0.55) ALDH1A1LMNAHTTPOLBPDE4D
SCHEMBL27435884 0.75 L3MBTL1 (0.41) ALDH1A1LMNASMN1; SMN2HTTRAB9A
SCHEMBL16896248 0.71 KDM4C (0.49) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL13741140 0.70 P2RY12 (0.56) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL8090996 0.70 CYP1A2 (0.67) ALDH1A1LMNASMN1; SMN2POLBPDE4D
SCHEMBL8883561 0.69 LMNA (0.60) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL2937866 0.69 RAB9A (0.64) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL9779069 0.69 CYP1A2 (0.56) ALDH1A1LMNASMN1; SMN2POLBPDE4D
SCHEMBL6681735 0.69 HPGD (0.69) ALDH1A1LMNASMN1; SMN2POLBCYP1A2
Acetic Acid SCHEMBL9593918 0.69 LMNA (0.56) ALDH1A1LMNASMN1; SMN2HTTPOLB

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
CN-1108332-C Water-soluble polymers and compositions thereof UNIV CALIFORNIA (US) 2003-05-14 — — CN disclosed
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