SCHEMBL2649037

SCHEMBL2649037

NNC(=O)c1c[nH]c2ccc(O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.53
ALDH1A1 P00352 5/20 0.53
GFER P55789 1/20 0.53
NPSR1 Q6W5P4 5/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 3/20 0.53
CYP2C9 P11712 2/20 0.53
NFKB1 P19838 2/20 0.53
PMP22 Q01453 2/20 0.53
HPGD P15428 2/20 0.53
GLA P06280 1/20 0.53
HTR2C P28335 5/20 0.50
KDM4E B2RXH2 4/20 0.50
CYP3A4 P08684 3/20 0.50
HTR1A P08908 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2B P41595 3/20 0.50
MAPT P10636 3/20 0.50
CYP2D6 P10635 3/20 0.50
HTR7 P34969 2/20 0.50

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
SCHEMBL26204080 0.83 NR4A2 (0.64) ALDH1A1KDM4EHTR2AMAPTKMT2A
SCHEMBL3389562 0.81 ALDH1A1 (0.61) SPRALDH1A1NPSR1TSHRLMNA
SCHEMBL11793493 0.81 F7 (0.53) SPRALDH1A1NPSR1TSHRLMNA
SCHEMBL27471046 0.81 GPR84 (0.58) SPRALDH1A1NPSR1TSHRLMNA
SCHEMBL1081795 0.81 F7 (0.66) SPRALDH1A1NPSR1TSHRLMNA
SCHEMBL12720764 0.81 SPR (0.56) SPRALDH1A1NPSR1TSHRLMNA
SCHEMBL7461248 0.80 NHERF1 (0.51) NPSR1LMNAMAPTKMT2ANHERF1
SCHEMBL7461028 0.80 NHERF1 (0.48) LMNANHERF1
SCHEMBL474836 0.78 ALDH1A1 (0.66) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL21809188 0.78 PBRM1 (0.61) SPRALDH1A1NPSR1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed