SCHEMBL7966451

SCHEMBL7966451

O=C(O)[CH]c1ccc2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.69
KDM4E B2RXH2 5/20 0.69
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
HTT P42858 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
PKM P14618 2/20 0.55
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54

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
SCHEMBL372572 0.81 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL902324 0.81 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL3532304 0.78 LMNA (0.79) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL3532302 0.78 LMNA (0.79) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL1163637 0.75 NPC1 (0.62) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL230838 0.75 NPC1 (0.57) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL4060701 0.75 NPC1 (0.57) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL3529276 0.75 KDM4E (0.59) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL3530470 0.75 KDM4E (0.59) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL3529280 0.75 KDM4E (0.59) LMNAKDM4EMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed