SCHEMBL7029629

SCHEMBL7029629

COC(=O)c1ccccc1Nc1ccccc1C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
ALOX15 P16050 1/20 0.61
KDM4E B2RXH2 5/20 0.57
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
KMT2A Q03164 1/20 0.53
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
PTGS2 P35354 1/20 0.49
HSD17B10 Q99714 6/20 0.48
TSHR P16473 5/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 5/20 0.46
CFTR P13569 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL19065779 0.86 MAPT (0.79) MAPTALOX15KDM4EPOLBATM
SCHEMBL7568048 0.84 MAPT (0.51) MAPTALOX15KDM4EPOLBATM
SCHEMBL30635255 0.83 LMNA (0.57) MAPTALOX15KDM4EPOLBATM
SCHEMBL121356 0.83 LMNA (0.57) MAPTALOX15KDM4EPOLBATM
SCHEMBL8892377 0.81 FABP4 (0.61) MAPTKMT2AHPGDPTGS2LMNA
SCHEMBL26930977 0.81 TAS2R14 (0.48) MAPTALOX15KDM4EKMT2AHPGD
SCHEMBL7568046 0.81 TAS2R14 (0.54) MAPTALOX15KDM4EPOLBATM
Benzene SCHEMBL28217563 0.81 TSHR (0.55) MAPTALOX15KDM4EPOLBATM
SCHEMBL7034926 0.80 MAPT (0.74) MAPTALOX15KDM4EPOLBATM
SCHEMBL7566527 0.79 MAPT (0.48) MAPTALOX15KDM4EPOLBATM

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
EP-0934277-B1 PROCESS FOR THE PREPARATION OF N- 2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE XENOVA LTD (GB) 2003-02-05 EP disclosed
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed
US-6111109-A CYCLIZING A 2-(2-ALKYLOXYCARBONYLPHENYL)AMINO-)BENZALDEHYDE BY TREATING WITH A BORON TRIFLUORIDE; NEUTRALIZATION OF THE FORMED SALT; AMIDATION WITH AN 2-N,N-DIALKYLAMINOETHYLAMINE;ANTITUMOR AND -CARCINOGENIC XENOVA LIMITED (GB) 2000-08-29 US disclosed