SCHEMBL7259442

SCHEMBL7259442

C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCOc1cccc(-c2nc3ccccc3o2)c1)NC(=O)c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TP53 P04637 3/20 0.42
P2RY14 Q15391 3/20 0.40
USP2 O75604 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL7264648 0.88 BCHE (0.38) TP53TSHRNPC1RAB9AHPGD
SCHEMBL7259390 0.83 RAB9A (0.38) TP53ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7264021 0.82 FFAR1 (0.35) MAPTALDH1A1POLBKDM4ENPC1
SCHEMBL7259504 0.82 MCHR1 (0.38) MAPTNPC1LMNASMN1; SMN2
SCHEMBL7259380 0.82 SMN1; SMN2 (0.39) MAPTTP53ALDH1A1MAPK1KDM4E
SCHEMBL7264336 0.81 FAAH (0.34) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL7258928 0.81 SMN1; SMN2 (0.34) TP53MAPK1MEN1KMT2ANPC1
SCHEMBL7263111 0.80 HDAC8 (0.34) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7264002 0.79 NPC1 (0.37) MAPTALDH1A1MAPK1POLBMEN1
SCHEMBL7258701 0.78 MAPT (0.34) MAPTALDH1A1MEN1KMT2ANPC1

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