SCHEMBL14003294

SCHEMBL14003294

COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc([N+](=O)[O-])cn3C)cn2C)cn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
PRKCA P17252 1/20 0.35
TOP1 P11387 2/20 0.35
HRAS P01112 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AR P10275 1/20 0.34
MITF O75030 1/20 0.34
S1PR4 O95977 1/20 0.34
LMNA P02545 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL5333313 0.98 P2RY12 (0.37) P2RY12HDAC1HDAC2HDAC8PRKCA
SCHEMBL12307516 0.86 AR (0.36) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL12934361 0.86 AR (0.36) HDAC1HDAC2HDAC8TOP1HRAS
SCHEMBL15385157 0.84 HDAC1 (0.42) P2RY12HDAC1HDAC2HDAC8TOP1
SCHEMBL26004721 0.84 HDAC1 (0.42) P2RY12HDAC1HDAC2HDAC8TOP1
SCHEMBL5335785 0.82 P2RY12 (0.43) P2RY12HDAC1HDAC2HDAC8PRKCA
SCHEMBL14003293 0.82 P2RY12 (0.40) P2RY12HDAC1HDAC2HDAC8TOP1
SCHEMBL14027353 0.82 P2RY12 (0.40) P2RY12HDAC1HDAC2HDAC8TOP1
SCHEMBL14003295 0.82 P2RY12 (0.40) P2RY12HDAC1HDAC2HDAC8TOP1
SCHEMBL2393205 0.81 MEN1 (0.43) P2RY12PRKCATOP1HRASESR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023149487-A1 METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE 国立大学法人千葉大学 2023-08-10 WO disclosed
US-7456294-B2 Hairpin polyamide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-11-25 US disclosed
US-7456294-B2 Hairpin polyamide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-11-25 US disclosed