SCHEMBL9300541

SCHEMBL9300541

CCC(c1c(Nc2c3ccccc3nc3ccccc23)cc(CO)cc1N(C)C(CC)S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 9/20 0.48
TOP2A P11388 8/20 0.48
RAD52 P43351 2/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KDM1A O60341 4/20 0.39
LY6K Q17RY6 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
GLA P06280 3/20 0.37
RAB9A P51151 2/20 0.37
SLC22A1 O15245 1/20 0.37
ABCC4 O15439 1/20 0.37
NR1I2 O75469 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37
TOP1 P11387 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
SCHEMBL9300759 0.74 TOP2B (0.53) TOP2BTOP2ARAD52NCOA3KDM1A
SCHEMBL9300207 0.71 TOP2B (0.48) TOP2BTOP2ARAD52NCOA3KDM1A
SCHEMBL9547262 0.69 TOP2A (0.46) TOP2BTOP2ARAD52KDM1ALY6K
SCHEMBL9300764 0.67 TOP2B (0.53) TOP2BTOP2ARAD52NCOA3KDM1A
SCHEMBL9300832 0.67 TOP2A (0.47) TOP2BTOP2AKDM1AGLANPY1R
SCHEMBL9300653 0.67 POLB (0.47) TOP2BTOP2ARAD52KDM1AGLA
SCHEMBL9547241 0.67 TOP2A (0.51) TOP2BTOP2ARAD52KDM1AGLA
SCHEMBL9300661 0.66 TOP2A (0.47) TOP2BTOP2ARAD52KDM1AGLA
SCHEMBL9300901 0.66 KDM4E (0.48) TOP2BTOP2ARAD52KDM1AGLA
SCHEMBL9299716 0.66 POLB (0.43) TOP2BTOP2AGLAKMT2AKDM4E

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-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US disclosed