SCHEMBL9775895

SCHEMBL9775895

CCOC(=O)c1cn(C(C)(C)C)c2nc3cc(Cl)c(F)cc3cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
STAT3 P40763 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
NPC1 O15118 1/20 0.35
CA1 P00915 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8941932 0.92 KMT2A (0.45) KMT2AALDH1A1TSHRSTAT3KDM4E
SCHEMBL9532522 0.87 BAZ2B (0.48) KMT2APOLBBAZ2BBAZ2AALDH1A1
SCHEMBL9775959 0.86 ALDH1A1 (0.52) KMT2APOLBALDH1A1TSHRKDM4E
SCHEMBL9775979 0.86 TOP2A (0.37) KMT2APOLBALDH1A1KDM4EHPGD
SCHEMBL501306 0.85 KMT2A (0.46) KMT2APOLBBAZ2BBAZ2AALDH1A1
SCHEMBL10390918 0.85 BAZ2B (0.42) KMT2APOLBBAZ2BBAZ2AALDH1A1
SCHEMBL9775880 0.84 KMT2A (0.45) KMT2APOLBBAZ2BBAZ2AALDH1A1
SCHEMBL9785255 0.83 KMT2A (0.44) KMT2APOLBALDH1A1TSHRKDM4E
SCHEMBL9775866 0.83 STAT3 (0.43) KMT2AALDH1A1TSHRSTAT3KDM4E
SCHEMBL7231247 0.83 ADRB2 (0.46) KMT2APOLBBAZ2BBAZ2AALDH1A1

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-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed
US-4990515-A Chemical intermediates RHONE-POULENC SANTE (FR) 1991-02-05 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed