SCHEMBL9776017

SCHEMBL9776017

CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCN(C)CC4)c(F)c3nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.61
DRD3 P35462 1/20 0.56
LMNA P02545 4/20 0.55
CYP2C9 P11712 1/20 0.55
ATP6V1B2 P21281 1/20 0.55
TBXA2R P21731 1/20 0.55
EDNRA P25101 1/20 0.55
TARBP2 Q15633 1/20 0.55
ALDH1A1 P00352 8/20 0.52
HPGD P15428 7/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
HSD17B10 Q99714 7/20 0.49
PMP22 Q01453 1/20 0.48
CASP1 P29466 1/20 0.48
ADRA2B P18089 1/20 0.46
MAPK1 P28482 1/20 0.46
ABCC4 O15439 1/20 0.46
PKM P14618 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
SCHEMBL9775882 0.90 LMNA (0.70) KDM4EDRD3LMNACYP2C9ATP6V1B2
SCHEMBL9775896 0.89 ALDH1A1 (0.49) KDM4EDRD3LMNACYP2C9ATP6V1B2
SCHEMBL9527325 0.88 KDM4E (0.57) KDM4EDRD3LMNACYP2C9ATP6V1B2
SCHEMBL9775918 0.87 LMNA (0.66) KDM4EDRD3LMNACYP2C9ATP6V1B2
SCHEMBL8941894 0.85 LMNA (0.52) KDM4EDRD3LMNACYP2C9ATP6V1B2
SCHEMBL8942023 0.84 LMNA (0.51) KDM4EDRD3LMNACYP2C9ATP6V1B2
SCHEMBL9775873 0.84 KDM4E (0.52) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL8942170 0.84 LMNA (0.50) KDM4EDRD3LMNACYP2C9ATP6V1B2
SCHEMBL8942063 0.84 LMNA (0.50) KDM4EDRD3LMNACYP2C9ATP6V1B2
SCHEMBL8942156 0.84 LMNA (0.50) KDM4EDRD3LMNACYP2C9ATP6V1B2

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-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed