SCHEMBL7449392

SCHEMBL7449392

CCOC(=O)CCC(=O)N(C1CCCC1)C1(c2ccc3[nH]c(CNc4ccc(C#N)cc4)nc3c2C)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
TGFBR1 P36897 2/20 0.31
ALOX15 P16050 1/20 0.30
PYGL P06737 1/20 0.30
CHEK1 O14757 1/20 0.30
PAX8 Q06710 1/20 0.30
PIP4K2A P48426 1/20 0.30
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL7448750 0.80 PDE2A (0.36) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7449396 0.79 MAPT (0.37) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7413025 0.74 F2 (0.43) NPC1RAB9A
SCHEMBL7447136 0.72 ALDH1A1 (0.37) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7454489 0.70 NPC1 (0.38) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7446445 0.70 NPC1 (0.38) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL9901721 0.70 NQO2 (0.46) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7394949 0.69 ALDH1A1 (0.43) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7421109 0.69 NPC1 (0.37) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7444335 0.69 MAPT (0.41) NPC1ALDH1A1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed