SCHEMBL6852567

SCHEMBL6852567

Cc1ccc(-c2ccc(C#CCO)cc2)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
MELK Q14680 1/20 0.36
P2RX7 Q99572 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL6852799 0.78 NPC1 (0.33) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL17051575 0.76 NPC1 (0.44) P2RX7NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6876005 0.74 HDAC4 (0.39) MMP2MMP12MELKCYP2A6CYP2B6
SCHEMBL6851784 0.74 ACACB (0.32) P2RX7NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9672111 0.74 MMP2 (0.50) MMP2MMP12MELKCYP1A2CYP2C19
SCHEMBL12970083 0.74 FYN (0.41) P2RX7NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6676853 0.74 GAA (0.50) CYP2A6GABRA1GABRG2GABRB3GABRA5
SCHEMBL6446069 0.72 MMP2 (0.55) MMP2MMP12MELKCYP1A2CYP2C19
SCHEMBL23084949 0.71 MAPT (0.45) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL10000239 0.70 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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