SCHEMBL6983254

SCHEMBL6983254

Nc1nc(N)nc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ LMNA P02545 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.55
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ XDH P47989 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ MGAM O43451 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SI P14410 1/20 0.47

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
SCHEMBL9566556 0.98 MAPT (0.58) MAPTLMNATDP1NPC1RAB9A
SCHEMBL8129593 0.89 MAPT (0.54) MAPTLMNATDP1NPC1RAB9A
SCHEMBL8129591 0.89 MAPT (0.54) MAPTLMNATDP1NPC1RAB9A
SCHEMBL29769219 0.84 XDH (0.58) MAPTLMNATDP1NPC1RAB9A
SCHEMBL18541587 0.82 NPSR1 (0.50) MAPTLMNATDP1NPC1RAB9A
SCHEMBL18538212 0.79 MAPT (0.43) MAPTLMNATDP1NPC1RAB9A
SCHEMBL670531 0.77 LMNA (0.60) MAPTLMNATDP1NPC1RAB9A
SCHEMBL22604036 0.77 MAPK1 (0.62) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL28198 0.77 CA1 (0.67) MAPTLMNATDP1CA12CA1
SCHEMBL6423919 0.77 CA1 (0.67) MAPTLMNATDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 — — EP claimed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 — — US claimed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 — — EP disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 — — US disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 — — US disclosed
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