SCHEMBL7987707

SCHEMBL7987707

O=[N+]([O-])c1ccc(N2CCCN(c3ccncc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
LMNA P02545 2/20 0.68
POLB P06746 2/20 0.68
SIRT6 Q8N6T7 2/20 0.61
ALDH1A1 P00352 4/20 0.57
ADRB1 P08588 1/20 0.57
CHKA P35790 1/20 0.56
GAA P10253 1/20 0.52
AKR1C3 P42330 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49

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
SCHEMBL3439980 0.95 POLB (0.73) MAPTLMNAPOLBSIRT6ALDH1A1
SCHEMBL7048817 0.90 MAPT (0.85) MAPTLMNAPOLBSIRT6ALDH1A1
SCHEMBL1851861 0.88 MAPT (0.89) MAPTLMNAPOLBSIRT6ALDH1A1
SCHEMBL378458 0.84 MAPT (0.96) MAPTLMNAPOLBSIRT6ALDH1A1
SCHEMBL6151230 0.84 SIRT6 (0.81) MAPTLMNAPOLBSIRT6ALDH1A1
SCHEMBL15271381 0.84 SIRT6 (0.81) MAPTLMNAPOLBSIRT6ALDH1A1
SCHEMBL223626 0.83 MAPT (1.00) MAPTLMNAPOLBSIRT6ALDH1A1
SCHEMBL85552 0.83 MAPT (1.00) MAPTLMNAPOLBSIRT6ALDH1A1
SCHEMBL6607374 0.83 MAPT (1.00) MAPTLMNAPOLBSIRT6ALDH1A1
SCHEMBL1509517 0.81 POLB (1.00) MAPTLMNAPOLBSIRT6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6333320-B1 USEFUL AS DRUGS, ESPECIALLY AS AN ACTIVATED BLOOD COAGULATION FACTOR X INHIBITOR Yamanouchi Pharmaceutical Co. (JP) 2001-12-25 US disclosed
EP-1000936-A1 NOVEL HEXAHYDRO-1,4-DIAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-05-17 EP disclosed