SCHEMBL7259588

SCHEMBL7259588

C[C@H](OCc1ccccc1)[C@@H](CCOc1ccc2oc3ccccc3c2c1)NC(=O)c1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
PTGER4 P35408 1/20 0.41
MCHR1 Q99705 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ACSL1 P33121 2/20 0.37
ACSL6 Q9UKU0 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK1 Q13464 1/20 0.36
MAOA P21397 1/20 0.36
PKM P14618 1/20 0.35
BCHE P06276 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
SCHEMBL7453006 0.86 NPC1 (0.40) ALDH1A1MAPTMAOA
SCHEMBL7258751 0.84 ATM (0.40) LMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL7263594 0.82 RAB9A (0.43) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7264011 0.81 MCHR1 (0.39) LMNAMCHR1NPSR1ALDH1A1MAPT
SCHEMBL7258922 0.81 MRGPRX4 (0.42) MAPTMAOA
SCHEMBL7449950 0.80 ALDH1A1 (0.41) LMNAALDH1A1MAPT
SCHEMBL7263297 0.80 KMT2A (0.43)
SCHEMBL7449714 0.79 MMP9 (0.38) MAPT
SCHEMBL7448681 0.79 KMT2A (0.40) LMNASMN1; SMN2
SCHEMBL7548111 0.78 MMP9 (0.35) ALDH1A1MAPT

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
WO-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO claimed