SCHEMBL9737993

SCHEMBL9737993

CCOc1nc(OCC)n(Cc2ccc(-c3ccccc3)c(C(=O)O)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
FOLH1 Q04609 1/20 0.46
LTB4R2 Q9NPC1 2/20 0.43
LTB4R Q15722 1/20 0.43
AGTR1 P30556 10/20 0.41
AGTR2 P50052 9/20 0.41
MME P08473 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2B P18089 1/20 0.40
SLC6A2 P23975 1/20 0.40
TBXAS1 P24557 1/20 0.40
HTR2C P28335 1/20 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
SCHEMBL6005872 0.89 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9737361 0.83 AGTR1 (0.43) KMT2AFOLH1LTB4R2LTB4RAGTR1
SCHEMBL8096066 0.80 TSHR (0.46) KMT2ALTB4R2AGTR1AGTR2ABCB11
SCHEMBL6005849 0.79 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL6007240 0.79 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL8105171 0.79 PPARG (0.48) LTB4R2SMN1; SMN2PPARG
SCHEMBL6004912 0.78 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL6007482 0.77 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL6008330 0.77 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL6005997 0.76 AGTR1 (0.50) AGTR1AGTR2MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 WO disclosed