SCHEMBL9638600

SCHEMBL9638600

NC=CCNc1cccnc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
S1PR4 O95977 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 3/20 0.34
CTSB P07858 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL8600948 0.82 MAPT (0.46) MAPTKMT2AMEN1LMNAGAA
SCHEMBL7697934 0.78 MAPT (0.59) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL2483154 0.77 SMN1; SMN2 (0.46) MAPTKMT2AMEN1LMNAGAA
SCHEMBL1620480 0.75 KMT2A (0.43) MAPTKMT2AMEN1LMNAGAA
SCHEMBL9438386 0.74 MAPT (0.47) MAPTKMT2AMEN1LMNAGAA
SCHEMBL8568520 0.74 BACE1 (0.56) MAPTKMT2AMEN1LMNAGAA
Fluoride SCHEMBL23234546 0.73 NPC1 (0.43) MAPTKMT2AMEN1LMNAGAA
Hydrochloric Acid SCHEMBL28516416 0.73 KMT2A (0.42) MAPTKMT2AMEN1LMNAGAA
SCHEMBL19897482 0.72 MAPT (0.46) MAPTKMT2ALMNAPKMNPC1
SCHEMBL7017905 0.72 KMT2A (0.38) KMT2AMEN1LMNAGAATHRB

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
EP-0188007-B1 PROCESS FOR THE PREPARATION OF 2-NITRO-3-AMINOPYRIDINE, AND THE N,N'-DI-(2-NITRO-3-PYRIDYL) UREA ITSELF OCCURRING AS AN INTERMEDIATE PRODUCT HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-19 EP disclosed
US-4952697-A REACTING 3-AMINOPYRIDINE WITH PHOSGENE OR UREA, NITRATING AND HYDROLYSIS HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
EP-0188007-A2 Process for the preparation of 2-nitro-3-aminopyridine, and the N,N'-di-(2-nitro-3-pyridyl) urea itself occurring as an intermediate product HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-23 EP disclosed