SCHEMBL10700787

SCHEMBL10700787

CN(C(=O)c1ccncc1)c1cc2c(cc1[N+](=O)[O-])C(C)(C)C(=O)N2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MPI P34949 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ HSPA9 P38646 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL10699632 0.96 MPI (0.38) KMT2AKDM4EMPITDP1ALDH1A1
SCHEMBL2490105 0.78 MPI (0.43) KMT2AKDM4EMPITDP1ALDH1A1
SCHEMBL10693972 0.76 NPC1 (0.41) KMT2AMPITDP1ALDH1A1MAPT
SCHEMBL23578343 0.68 SIRT6 (0.44) KDM4EMPITDP1ALDH1A1MAPT
SCHEMBL10698788 0.67 MAPT (0.55) KMT2ATDP1ALDH1A1MAPTL3MBTL1
SCHEMBL15579146 0.67 GAA (0.50) KDM4ETDP1MAPTL3MBTL1POLB
SCHEMBL10695006 0.67 MPI (0.45) KMT2AKDM4EMPITDP1ALDH1A1
SCHEMBL2489209 0.66 TDP1 (0.72) KMT2AKDM4EMPITDP1ALDH1A1
SCHEMBL17275758 0.66 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL17275671 0.66 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1MAPTGAA

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
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 — — EP disclosed
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