SCHEMBL13870045

SCHEMBL13870045

CSCCn1cnc2cncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.51
▸ LTA4H P09960 1/20 0.47
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CYP1A2 P05177 12/20 0.36
▸ TSHR P16473 7/20 0.36
▸ CYP3A4 P08684 9/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ CYP2C19 P33261 6/20 0.36
▸ CYP2C9 P11712 5/20 0.36
▸ USP2 O75604 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CYP2D6 P10635 2/20 0.34
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ DNMT3B Q9UBC3 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL14086394 0.91 FDPS (0.49) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL31024294 0.81 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL10163117 0.81 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL6950642 0.79 ADORA2A (0.53) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL5017277 0.78 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL30166038 0.78 FDPS (0.55) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL6259635 0.78 FDPS (0.55) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL3671306 0.78 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL4020843 0.78 FDPS (0.51) FDPSLTA4HHDAC1HDAC6CYP1A2
SCHEMBL9597540 0.78 FDPS (0.55) FDPSLTA4HHDAC1HDAC6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — US disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — US disclosed
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