SCHEMBL6854261

SCHEMBL6854261

[CH2]C#Cc1cc(-c2ccccn2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
KDM4E B2RXH2 7/20 0.39
LMNA P02545 4/20 0.39
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP19A1 P11511 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL6851937 0.81 CYP2A6 (0.38) GRM5KDM4ELMNACCR1CCR5
SCHEMBL6876918 0.81 MAPK14 (0.38) GRM5KDM4ELMNACCR1CCR5
SCHEMBL6852135 0.80 CLK4 (0.33) CYP19A1
SCHEMBL3902476 0.72 KDM4E (0.60) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6852098 0.72 KDM4E (0.46) GRM5KDM4ELMNACCR1CCR5
SCHEMBL6854136 0.72 DYRK1A (0.58) GRM5CYP1A2CYP2A6CYP19A1ALDH1A1
SCHEMBL14106734 0.71 PDE10A (0.50) GRM5KDM4ELMNACCR1CCR5
SCHEMBL3344484 0.71 KDM4E (0.46) GRM5KDM4ELMNACCR1CCR5
SCHEMBL6847888 0.71 CYP1A2 (0.47) GRM5KDM4ELMNACCR1CCR5
Hydrochloric Acid SCHEMBL15910677 0.70 PIK3CD (0.45) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed