SCHEMBL10905798

SCHEMBL10905798

CC1CCc2c(-c3ccccc3)ccc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.52
LMNA P02545 1/20 0.52
TOP2A P11388 8/20 0.40
TOP2B Q02880 8/20 0.40
CNR2 P34972 4/20 0.37
CNR1 P21554 3/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
CHRM1 P11229 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL10905854 0.90 KDM4E (0.49) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL10904846 0.90 KDM4E (0.49) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL10905473 0.90 KDM4E (0.49) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11056015 0.88 KDM4E (0.43) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11050824 0.88 LMNA (0.48) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
Water SCHEMBL10905268 0.87 LMNA (0.47) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL10903493 0.87 TDP1 (0.46) KDM4ESMN1; SMN2CYP1A2LMNAKMT2A
SCHEMBL10907303 0.87 LMNA (0.46) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
Water SCHEMBL10903316 0.86 LMNA (0.46) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
Water SCHEMBL10905873 0.85 LMNA (0.45) KDM4ESMN1; SMN2CYP1A2LMNATOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107201-A2 Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INCORPORATED (US) 1984-05-02 EP claimed
US-4443447-A Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INC. (US) 1984-04-17 US claimed
US-4603199-A Phenyl-substituted tricyclic antibacterial agent intermediates RIKER LABORATORIES, INC. (US) 1986-07-29 US disclosed
EP-0107201-A2 Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INCORPORATED (US) 1984-05-02 EP disclosed
US-4443447-A Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INC. (US) 1984-04-17 US disclosed