SCHEMBL9637653

SCHEMBL9637653

O=C(Nc1cccnc1)Nc1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
RAB9A P51151 4/20 0.77
NPC1 O15118 4/20 0.77
LMNA P02545 3/20 0.74
ALDH1A1 P00352 2/20 0.74
MAPT P10636 2/20 0.74
TSHR P16473 1/20 0.72
TAAR1 Q96RJ0 1/20 0.72
HTT P42858 2/20 0.70
KDM4E B2RXH2 1/20 0.70
PKM P14618 1/20 0.69
CDK2 P24941 1/20 0.69
FLT4 P35916 1/20 0.69
HIF1A Q16665 1/20 0.67
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
NAMPT P43490 1/20 0.65

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
SCHEMBL30051982 1.00 MEN1 (0.77) MEN1KMT2ARAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL29388210 0.98 MEN1 (0.74) MEN1KMT2ARAB9ANPC1LMNA
Bromide SCHEMBL29417998 0.98 MEN1 (0.74) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL10665495 0.94 RAB9A (0.79) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL5633303 0.88 RAB9A (0.63) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL30633570 0.88 RAB9A (0.68) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL7785654 0.88 RAB9A (0.68) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL8663578 0.88 RAB9A (0.63) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL19932355 0.88 RAB9A (0.71) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL7849600 0.88 RAB9A (0.71) MEN1KMT2ARAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO claimed
CN-105503711-A Pyridylurea biquaternary ammonium salt as well as preparation method and application thereof UNIV SHANXI 2016-04-20 CN claimed
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 claimed
US-4952697-A REACTING 3-AMINOPYRIDINE WITH PHOSGENE OR UREA, NITRATING AND HYDROLYSIS HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-28 US claimed
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO disclosed
WO-2023119308-A1 NOVEL, SAFE, ECONOMICAL AND AN EFFICIENT PROCESS FOR PREPARATION OF 3-FLUORO-2-NITRO PYRIDINE OF FORMULA I AASTRID LIFE SCIENCES PVT. LTD. (IN) 2023-06-29 WO disclosed
CN-105503711-A Pyridylurea biquaternary ammonium salt as well as preparation method and application thereof UNIV SHANXI 2016-04-20 CN disclosed
CN-105503711-A Pyridylurea biquaternary ammonium salt as well as preparation method and application thereof UNIV SHANXI 2016-04-20 CN disclosed
US-4952697-A REACTING 3-AMINOPYRIDINE WITH PHOSGENE OR UREA, NITRATING AND HYDROLYSIS HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
US-4952697-A REACTING 3-AMINOPYRIDINE WITH PHOSGENE OR UREA, NITRATING AND HYDROLYSIS HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed