SCHEMBL9300856

SCHEMBL9300856

COS(=O)(=O)CCCOCc1cc(N)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.59
TOP2B Q02880 10/20 0.59
RAD52 P43351 4/20 0.44
POLB P06746 2/20 0.44
KDM1A O60341 5/20 0.43
GFER P55789 2/20 0.41
KMT2A Q03164 2/20 0.41
LY6K Q17RY6 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
GLA P06280 2/20 0.40
SLC22A1 O15245 1/20 0.40
ABCC4 O15439 1/20 0.40
NR1I2 O75469 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL9299561 0.95 TOP2A (0.60) TOP2ATOP2BRAD52POLBKDM1A
SCHEMBL9300780 0.92 TOP2A (0.61) TOP2ATOP2BRAD52POLBKDM1A
SCHEMBL9301168 0.90 TOP2A (0.63) TOP2ATOP2BRAD52POLBKDM1A
SCHEMBL9300746 0.89 TOP2A (0.61) TOP2ATOP2BRAD52POLBKDM1A
SCHEMBL9301299 0.89 TOP2A (0.62) TOP2ATOP2BRAD52POLBKDM1A
SCHEMBL9300742 0.88 TOP2A (0.57) TOP2ATOP2BRAD52POLBKDM1A
SCHEMBL9300850 0.86 TOP2A (0.59) TOP2ATOP2BRAD52POLBKDM1A
SCHEMBL9300987 0.85 TOP2A (0.63) TOP2ATOP2BRAD52POLBKDM1A
SCHEMBL9300978 0.84 TOP2A (0.58) TOP2ATOP2BRAD52POLBKDM1A
SCHEMBL9299556 0.84 TOP2A (0.60) TOP2ATOP2BRAD52POLBKDM1A

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 4 patents. 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 claimed
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO claimed
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US disclosed
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO disclosed