SCHEMBL11056015

SCHEMBL11056015

CC1Cc2c(-c3ccccc3)ccc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.41
TOP2A P11388 7/20 0.41
TOP2B Q02880 7/20 0.41
CHRM1 P11229 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 1/20 0.37
ALB P02768 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
AADAT Q8N5Z0 2/20 0.36
TUBB4A P04350 1/20 0.36
POLB P06746 1/20 0.36
TUBB P07437 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
SCHEMBL10905798 0.88 KDM4E (0.52) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11164745 0.81 KDM4E (0.46) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11051451 0.81 TOP2A (0.41) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL10903306 0.81 TOP2A (0.57) KDM4ETOP2ATOP2BKMT2AALDH1A1
SCHEMBL10905473 0.79 KDM4E (0.49) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL10904846 0.79 KDM4E (0.49) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL10905854 0.79 KDM4E (0.49) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11050824 0.77 LMNA (0.48) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11165027 0.77 KDM4E (0.51) KDM4ESMN1; SMN2CYP1A2LMNATOP2A
SCHEMBL11156854 0.77 LMNA (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443447-A Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INC. (US) 1984-04-17 US disclosed