SCHEMBL10473218

SCHEMBL10473218

COC(=O)CN.Cc1ccc(C(N)=O)c([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MGMT P16455 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CTSV O60911 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ PTGES O14684 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
Glycine SCHEMBL10470638 0.91 PTPN1 (0.41) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL12253970 0.83 PTPN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2PTPN1
SCHEMBL12253971 0.79 ALDH1A1 (0.46) KMT2AMAPTALDH1A1POLBPTPN1
SCHEMBL10470640 0.78 LTA4H (0.48) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL14228268 0.77 MGMT (0.48) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL14199914 0.75 HPGD (0.47) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL14450789 0.75 HPGD (0.47) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL28537310 0.75 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL14199913 0.74 MEN1 (0.53) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL14199912 0.74 HPGD (0.46) MEN1KMT2AMAPTLMNAALDH1A1

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-4942227-A ANTITUMOR AGENTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1990-07-17 — — US disclosed
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