SCHEMBL9300917

SCHEMBL9300917

O=S(=O)(O)CCNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.67
TOP2B Q02880 9/20 0.67
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KDM1A O60341 2/20 0.43
POLB P06746 2/20 0.43
RAD52 P43351 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL9299578 0.93 TOP2A (0.64) TOP2ATOP2BCYP1A2CYP2D6CYP2C9
SCHEMBL9300784 0.92 TOP2A (0.65) TOP2ATOP2BCYP1A2CYP2D6CYP2C9
SCHEMBL9300387 0.90 TOP2A (0.72) TOP2ATOP2BCYP1A2CYP2D6CYP2C9
SCHEMBL9301648 0.89 TOP2A (0.64) TOP2ATOP2BCYP1A2CYP2D6CYP2C9
SCHEMBL9301141 0.88 TOP2A (0.66) TOP2ATOP2BCYP1A2CYP2D6CYP2C9
SCHEMBL9300658 0.87 TOP2A (0.64) TOP2ATOP2BKDM1APOLBRAD52
SCHEMBL9301553 0.86 TOP2A (0.69) TOP2ATOP2BCYP1A2CYP2D6CYP2C9
SCHEMBL9299575 0.85 TOP2A (0.62) TOP2ATOP2BCYP1A2CYP2D6CYP2C9
SCHEMBL9301428 0.84 TOP2A (0.64) TOP2ATOP2BCYP1A2CYP2D6CYP2C9
SCHEMBL9299690 0.84 TOP2A (0.73) TOP2ATOP2BKDM1APOLBRAD52

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