SCHEMBL7476679

SCHEMBL7476679

O=C1OCCN1c1ccccc1N1CCN(c2cnccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 1/20 0.44
SLC6A7 Q99884 1/20 0.44
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SORD Q00796 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD4 P21917 1/20 0.39
TP53 P04637 1/20 0.38
SCN9A Q15858 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL7814732 0.76 KEAP1 (0.46) L3MBTL1ALDH1A1POLB
SCHEMBL7823337 0.76 KEAP1 (0.42) L3MBTL1KDM4EALDH1A1
SCHEMBL1843566 0.75 KEAP1 (0.49) L3MBTL1ALDH1A1POLB
SCHEMBL3584707 0.74 ALOX15 (0.37) L3MBTL1KDM4EALDH1A1
SCHEMBL6984223 0.73 ADRB1 (0.49) LMNAKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL3579186 0.72 ALDH1A1 (0.39) L3MBTL1ALDH1A1
SCHEMBL19667119 0.71 L3MBTL1 (0.58) L3MBTL1LMNAKDM4EALDH1A1SLC6A7
SCHEMBL6097270 0.70 CRBN (0.51) KDM4EALDH1A1CYP1A2POLB
SCHEMBL138181 0.67 KEAP1 (0.44) L3MBTL1KDM4ETP53
SCHEMBL29557633 0.67 KEAP1 (0.44) L3MBTL1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054874-B1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-08-28 EP disclosed
EP-1060179-A1 SUBSTITUTED AMINOMETHYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-12-20 EP disclosed
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP disclosed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US disclosed
WO-1999043671-A1 SUBSTITUTED AMINOMETHYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-09-02 WO disclosed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 WO disclosed