SCHEMBL11269680

SCHEMBL11269680

O=C(CNC(=O)OCc1ccccc1)Nc1ccc(Cl)nc1C(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.62
HTT P42858 3/20 0.62
LMNA P02545 3/20 0.62
MAPK1 P28482 1/20 0.51
MAPT P10636 2/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL11715876 0.89 LMNA (0.54) NPSR1HTTLMNAMAPK1MAPT
SCHEMBL11274398 0.88 LMNA (0.67) NPSR1HTTLMNAMAPK1MAPT
SCHEMBL11708214 0.85 NPSR1 (0.58) NPSR1HTTLMNAMAPK1MAPT
SCHEMBL30030552 0.84 HTT (0.55) NPSR1HTTLMNAMAPK1MAPT
SCHEMBL11785718 0.81 LMNA (0.77) NPSR1HTTLMNAMAPK1MAPT
SCHEMBL7613630 0.80 NPSR1 (0.75) NPSR1HTTLMNAMAPK1MAPT
SCHEMBL11714920 0.80 LMNA (0.45) NPSR1HTTLMNAMAPK1MAPT
SCHEMBL11269675 0.80 NPSR1 (0.39) NPSR1HTTLMNAMAPTALDH1A1
SCHEMBL11272068 0.79 TACR1 (0.57) KDM1ARCOR1
SCHEMBL11711531 0.79 ALDH1A1 (0.57) NPSR1HTTLMNAMAPTALDH1A1

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-RE31071-E 6-Aza-3H-1,4-benzodiazepines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1982-11-02 US disclosed
US-4012397-A 2-Benzoyl-3-amino-pyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-03-15 US disclosed
US-4008223-A SPASMOLYTIC, ANTIPHLOGISTIC, TRANQUILIZER DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-02-15 US disclosed
US-3969361-A 2-Benzoyl-3-amino-pyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-07-13 US disclosed