SCHEMBL10994263

SCHEMBL10994263

CCc1csc(NC(=O)CN2CCN(CC(O)C3COc4ccccc4O3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
AIMP2 Q13155 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
KMT2A Q03164 3/20 0.37
REV1 Q9UBZ9 1/20 0.37
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 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
SCHEMBL10997582 0.91 LMNA (0.36) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL11000014 0.90 POLB (0.42) ALDH1A1AIMP2POLBSMN1; SMN2MAPT
SCHEMBL7440732 0.88 MAPT (0.38) ALDH1A1AIMP2POLBSMN1; SMN2MAPT
SCHEMBL7445153 0.81 MAPT (0.36) ALDH1A1AIMP2POLBSMN1; SMN2MAPT
SCHEMBL10994604 0.81 REV1 (0.48) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL10986888 0.80 POLB (0.55) ALDH1A1AIMP2POLBSMN1; SMN2MAPT
SCHEMBL10991908 0.80 RAB9A (0.56) ALDH1A1AIMP2POLBSMN1; SMN2MAPT
SCHEMBL10994845 0.80 CCR2 (0.38) ALDH1A1AIMP2POLBLMNANPSR1
SCHEMBL10991013 0.79 ALOX15 (0.51) ALDH1A1AIMP2POLBSMN1; SMN2MAPT
SCHEMBL10991994 0.79 POLB (0.47) ALDH1A1POLBSMN1; SMN2MAPTLMNA

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-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed