SCHEMBL7453448

SCHEMBL7453448

CCOC(=O)CNC(C)(C(=O)N1CCCC1)c1ccc2[nH]c(CNc3ccc(C(=N)NO)cc3)nc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
KLK1 P06870 3/20 0.32
KLK5 Q9Y337 3/20 0.32
PIP4K2A P48426 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CHEK1 O14757 1/20 0.31
POLB P06746 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
CYP1A2 P05177 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
SCHEMBL7449129 0.93 RAB9A (0.40) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL7442305 0.92 F2 (0.48) RAB9ANPC1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL7418107 0.91 F2 (0.47) RAB9ANPC1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL7449029 0.91 F2 (0.47) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL7415098 0.90 RAB9A (0.41) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL7416279 0.90 F2 (0.38) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL7446181 0.90 RAB9A (0.37) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL7448580 0.89 NPC1 (0.37) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL7449468 0.89 NPC1 (0.37) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL7448183 0.88 NPC1 (0.36) RAB9ANPC1ALDH1A1MAPTLMNA

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