SCHEMBL9302806

SCHEMBL9302806

CC(C)(C)c1nc(/C=C/c2cccnc2)nc(C(C)(C)C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.61
PTGS1 P23219 2/20 0.61
PTGS2 P35354 2/20 0.61
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
GRM5 P41594 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GRM4 Q14833 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP1A1 P04798 2/20 0.40

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
SCHEMBL9301520 1.00 ALOX5 (0.61) ALOX5PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL9537381 0.85 ALOX5 (0.53) ALOX5PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL9304099 0.83 PTGS2 (0.44) ALOX5PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL24067376 0.81 CYP11B1 (0.51) ALOX5PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL25670602 0.78 NPC1 (0.50) ALOX5PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL25670604 0.77 ALOX5 (0.45) ALOX5PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL6868428 0.76 PTGS1 (1.00) ALOX5PTGS1PTGS2MAPTCYP11B1
SCHEMBL10534390 0.76 PTGS1 (1.00) ALOX5PTGS1PTGS2MAPTCYP11B1
SCHEMBL24067373 0.75 ENPP1 (0.51) ALOX5PTGS1PTGS2CYP11B1CYP11B2
SCHEMBL24067427 0.75 ALOX5 (0.41) ALOX5PTGS1PTGS2MAPTSMN1; 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
EP-0569491-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1993-11-18 EP claimed
US-5177079-A Antiallergen, antiulcer WARNER-LAMBERT COMPANY (US) 1993-01-05 US claimed
WO-1992013536-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-20 WO claimed
US-5340815-A Inhibitors of 5-lipoxygenase and/or cyclooxygenase WARNER-LAMBERT COMPANY (US) 1994-08-23 US disclosed
US-5302597-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1994-04-12 US disclosed
EP-0350403-B1 (AZA)NAPHTHALENESULTAM DERIVATIVES, PROCESS FOR THEIR PREPARATION AND DRUGS CONTAINING SAME RHONE-POULENC SANTE (FR) 1993-01-13 EP disclosed
US-5177079-A Antiallergen, antiulcer WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
EP-0350403-A1 (Aza)naphthalenesultam derivatives, process for their preparation and drugs containing same RHONE-POULENC SANTE (FR) 1990-01-10 EP disclosed