SCHEMBL27617535

SCHEMBL27617535

[CH2]C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.68
▸ KDM4E B2RXH2 6/20 0.66
▸ RAB9A P51151 9/20 0.62
▸ NPC1 O15118 9/20 0.62
▸ SMN1; SMN2 Q16637 7/20 0.62
▸ POLB P06746 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ HSD17B10 Q99714 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MITF O75030 1/20 0.61
▸ XBP1 P17861 1/20 0.61
▸ PAX8 Q06710 1/20 0.61
▸ KLF5 Q13887 1/20 0.61
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC7 Q8WUI4 2/20 0.59

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
SCHEMBL27866684 0.86 NPC1 (0.80) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL651159 0.85 KDR (0.74) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3994400 0.83 NPSR1 (0.71) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL879571 0.83 KDM4E (0.70) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14461305 0.83 HDAC1 (0.72) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27599000 0.83 HDAC1 (0.67) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4018954 0.83 KDR (0.62) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL29965933 0.83 KDR (0.62) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL23880568 0.82 KDR (0.70) KDRKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL13134245 0.81 KDM4E (0.63) KDRKDM4ERAB9ANPC1SMN1; SMN2

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
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 — — CN claimed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 — — CN claimed
CN-101367854-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2010-12-29 — — CN disclosed
CN-100509833-C Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-07-08 — — CN disclosed
CN-101367854-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2009-02-18 — — CN disclosed
CN-101289484-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 — — CN disclosed
CN-101289483-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2008-10-22 — — CN disclosed
CN-1630661-A Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2005-06-22 — — CN disclosed
Send feedback