SCHEMBL9775901

SCHEMBL9775901

COn1cc(C(=O)O)c(=O)c2cc3c(F)c(F)c(F)cc3nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.38
TOP2B Q02880 5/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
ATP6V1B2 P21281 1/20 0.38
TBXA2R P21731 1/20 0.38
EDNRA P25101 1/20 0.38
TARBP2 Q15633 1/20 0.38
DPP4 P27487 3/20 0.35
CHRM2 P08172 1/20 0.35
DRD1 P21728 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ABCC4 O15439 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL9775958 0.87 STAT3 (0.44) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL8942417 0.86 LMNA (0.39) TOP2ATOP2BLMNACYP2C9ATP6V1B2
SCHEMBL9536515 0.74 LMNA (0.32) TOP2ATOP2BLMNACYP2C9ATP6V1B2
SCHEMBL8942074 0.74 KMT2A (0.46) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL9775920 0.74 ALDH1A1 (0.52) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL9775973 0.73 ALDH1A1 (0.52) TOP2ATOP2BLMNACYP2C9ATP6V1B2
SCHEMBL8941977 0.73 KMT2A (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942065 0.72 TOP1 (0.41) TOP2ATOP2BLMNACYP2C9ATP6V1B2
SCHEMBL8942372 0.71 TOP2A (0.33) TOP2ATOP2BLMNACYP2C9ATP6V1B2
SCHEMBL8136324 0.71 ALDH1A1 (0.44) TOP2ATOP2BLMNACYP2C9KDM4E

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