SCHEMBL10699632

SCHEMBL10699632

CN(C(=O)c1ccncc1)c1cc2c(cc1[N+](=O)[O-])N(C)C(=O)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPI P34949 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ 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
SCHEMBL10700787 0.96 KMT2A (0.36) MPITDP1KMT2AKDM4EALDH1A1
SCHEMBL2490105 0.82 MPI (0.43) MPITDP1KMT2AKDM4EALDH1A1
SCHEMBL10693972 0.78 NPC1 (0.41) MPITDP1KMT2AALDH1A1MAPT
SCHEMBL10698788 0.69 MAPT (0.55) TDP1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2489209 0.69 TDP1 (0.72) MPITDP1KMT2AKDM4EALDH1A1
SCHEMBL15579146 0.67 GAA (0.50) TDP1KDM4EMAPTL3MBTL1POLB
SCHEMBL10698083 0.67 NPC1 (0.40) TDP1KMT2AALDH1A1MAPTPOLB
SCHEMBL2492692 0.67 MPI (0.48) MPITDP1KMT2AKDM4EALDH1A1
SCHEMBL10699685 0.66 NPC1 (0.39) TDP1KMT2AALDH1A1MAPTHCAR3
SCHEMBL10698400 0.66 MAPT (0.47) KMT2AKDM4EALDH1A1MAPTALOX15

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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