SCHEMBL8941925

SCHEMBL8941925

CN(C)C1C(N)CN1c1cc2nc3c(cc2cc1F)c(=O)c(C(=O)O)cn3CCF

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.39
CYP2C9 P11712 1/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39
KDM4E B2RXH2 4/20 0.38
EPHA2 P29317 1/20 0.38
FLT4 P35916 1/20 0.38
GSK3B P49841 1/20 0.38
RARB P10826 1/20 0.38
TBXAS1 P24557 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 2/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL8942249 0.92 LMNA (0.47) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942313 0.90 EPHA2 (0.40) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942086 0.86 EPHA2 (0.38) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942138 0.86 DPP4 (0.49) ALDH1A1LMNACYP2C9KDM4EEPHA2
SCHEMBL8942197 0.86 LMNA (0.39) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942139 0.84 KDM4E (0.43) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942083 0.83 ALDH1A1 (0.40) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942224 0.79 ALDH1A1 (0.48) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9775969 0.79 ALDH1A1 (0.67) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9786233 0.79 LMNA (0.46) ALDH1A1LMNACYP2C9ATP6V1B2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed