SCHEMBL11735178

SCHEMBL11735178

C=CC(=O)n1c2ccccc2c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.59
▸ POLB P06746 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ LMNA P02545 1/20 0.56
▸ S100A4 P26447 1/20 0.46
▸ KRAS P01116 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ACHE P22303 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ CTRB1 P17538 1/20 0.40

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
SCHEMBL7976945 0.82 MAPT (0.68) MAPTPOLBATMMEN1KMT2A
SCHEMBL811819 0.81 POLB (0.55) MAPTPOLBATMMEN1KMT2A
SCHEMBL32689427 0.81 POLB (0.55) MAPTPOLBATMMEN1KMT2A
SCHEMBL9823488 0.80 MAPT (0.66) MAPTPOLBATMMEN1KMT2A
SCHEMBL6139257 0.77 MAPT (0.68) MAPTPOLBATMMEN1KMT2A
SCHEMBL23318342 0.76 PTGER4 (0.49) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL31662502 0.76 KDM4E (0.61) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL23306643 0.76 KDM4E (0.61) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL20226056 0.76 MAPT (0.63) MAPTPOLBATMMEN1KMT2A
SCHEMBL31548612 0.76 MAPT (0.68) MAPTPOLBATMMEN1KMT2A

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-4051177-A PROCESS FOR THE PREPARATION OF UNSATURATED AMINO COMPOUNDS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
US-4002673-A GROUP VIII METAL SULFIDE AS HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
Send feedback