SCHEMBL13715949

SCHEMBL13715949

O=C(Nc1nnn[nH]1)Nc1nccnc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ ATM Q13315 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ AGER Q15109 1/20 0.30

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
SCHEMBL13715689 0.80 KDM4E (0.49) ATMKDM4EMAPTALDH1A1NPSR1
SCHEMBL13715837 0.79 DHODH (0.48) RAB9ANPC1ATMHTTKDM4E
SCHEMBL13715947 0.79 KDM4E (0.41) RAB9ANPC1ATMHTTKDM4E
SCHEMBL12057465 0.79 MDM2 (0.33) —
SCHEMBL13715672 0.72 SMN1; SMN2 (0.57) RAB9ANPC1ATMHTTMAPT
SCHEMBL13715831 0.72 KDM4E (0.51) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL13715920 0.71 KDM4E (0.53) KDM4EMAPTALDH1A1NPSR1L3MBTL1
SCHEMBL13686685 0.71 — —
SCHEMBL10622776 0.70 GRM5 (0.35) KDM4EMAPTALDH1A1
SCHEMBL10593982 0.70 TDP1 (0.33) RAB9ANPC1ATMHTTKDM4E

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-20090203215-A1 METAL POLISHING SLURRY AND CHEMICAL MECHANICAL POLISHING METHOD FUJIFILM CORPORATION (JP) 2009-08-13 — — US disclosed
US-20090203215-A1 METAL POLISHING SLURRY AND CHEMICAL MECHANICAL POLISHING METHOD FUJIFILM CORPORATION (JP) 2009-08-13 — — US disclosed
Send feedback