SCHEMBL30587145

SCHEMBL30587145

O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 16/20 1.00
LCLAT1 Q6UWP7 1/20 0.65
MAPT P10636 1/20 0.63
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL16384061 1.00 SMO (1.00) SMOLCLAT1MAPTUSP2TSHR
SCHEMBL26673986 0.90 SMO (0.81) SMOLCLAT1MAPTSMN1; SMN2
SCHEMBL24473959 0.84 SMO (0.72) SMOLCLAT1MAPTUSP2TSHR
SCHEMBL26078521 0.84 SMO (0.72) SMOMAPTUSP2TSHRMAPK1
SCHEMBL30587154 0.84 SMO (0.72) SMOLCLAT1MAPTUSP2TSHR
SCHEMBL4260914 0.84 SMO (1.00) SMOMAPTTSHRMAPK1HSD17B10
SCHEMBL4255817 0.82 SMO (1.00) SMOMAPT
SCHEMBL4255790 0.82 SMO (0.72) SMOMAPT
SCHEMBL4266575 0.82 SMO (1.00) SMOMAPT
SCHEMBL4262829 0.82 SMO (1.00) SMOMAPT

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
CN-116457353-A N-substituted 4- (5-phenyl-1, 3, 4-oxadiazol-2-yl) anilines for the treatment and prophylaxis of hepatitis b virus infections 豪夫迈·罗氏有限公司 2023-07-18 CN claimed
CN-116457353-A N-substituted 4- (5-phenyl-1, 3, 4-oxadiazol-2-yl) anilines for the treatment and prophylaxis of hepatitis b virus infections 豪夫迈·罗氏有限公司 2023-07-18 CN disclosed