SCHEMBL11825307

SCHEMBL11825307

O=C1N=NN=C1c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.43
BRD4 O60885 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.39
PGR P06401 2/20 0.39
IDO1 P14902 4/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8718613 0.76 MAPT (0.39) NOTUMNPC1RAB9ATSHRKMT2A
SCHEMBL7852977 0.70 NPC1 (0.50) NOTUMNPC1RAB9ATP53TSHR
SCHEMBL817554 0.70 ALOX5 (0.65) NOTUMNPC1RAB9AMAOBTP53
SCHEMBL31222672 0.70 ALOX5 (0.65) NOTUMNPC1RAB9AMAOBTP53
SCHEMBL27648776 0.69 NOTUM (0.42) NOTUMNPC1RAB9ATP53TSHR
SCHEMBL11579010 0.68 ESR2 (0.41) NOTUMNPC1RAB9AMAOBKMT2A
SCHEMBL11771739 0.68 TDO2 (0.41) NOTUMTAAR1ALDH1A1
Hydrochloric Acid SCHEMBL31070804 0.67 ALOX5 (0.62) NOTUMNPC1RAB9AMAOBTP53
SCHEMBL29629014 0.67 ALOX5 (0.62) NOTUMNPC1RAB9AMAOBTP53
Hydrochloric Acid SCHEMBL28332867 0.67 ALOX5 (0.62) NOTUMNPC1RAB9AMAOBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3985765-A ANTIINFLAMMATORY OR ANTIPYRETIC ACTIVITY MILES LABORATORIES, INC. (US) 1976-10-12 US disclosed
US-3948930-A ANTIINFLAMMATORY, ANTIPYRETIC MILES LABORATORIES, INC. (US) 1976-04-06 US disclosed
US-3948929-A ANTIINFLAMMATORY, ANTIPYRETIC MILES LABORATORIES, INC. (US) 1976-04-06 US disclosed
US-3948932-A ANTIINFLAMMATORY, ANTIPYRETIC MILES LABORATORIES, INC. (US) 1976-04-06 US disclosed