SCHEMBL5800103

SCHEMBL5800103

C/C(=N/NC(=O)c1ccc(C(=O)O)c(C)c1)c1nn(Cc2ccccc2)c(-c2ccc(C(C)(C)C)cc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.42
AGTR1 P30556 1/20 0.41
ESRRG P62508 1/20 0.41
ALDH1A1 P00352 2/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
EGFR P00533 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
P2RY14 Q15391 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL5800109 1.00 NR1H4 (0.42) NR1H4AGTR1ESRRGALDH1A1PPARG
SCHEMBL1484330 0.91 AGTR1 (0.46) NR1H4AGTR1ESRRGALDH1A1KDM4E
SCHEMBL12829728 0.91 AGTR1 (0.46) NR1H4AGTR1ESRRGALDH1A1KDM4E
SCHEMBL1484332 0.91 AGTR1 (0.46) NR1H4AGTR1ESRRGALDH1A1KDM4E
SCHEMBL12755620 0.90 AGTR1 (0.46) AGTR1ESRRGALDH1A1KDM4EMEN1
SCHEMBL1483392 0.86 AGTR1 (0.44) AGTR1ESRRGALDH1A1KDM4EMEN1
SCHEMBL1483390 0.86 AGTR1 (0.44) AGTR1ESRRGALDH1A1KDM4EMEN1
SCHEMBL12755594 0.80 TDP1 (0.45) NR1H4ALDH1A1KMT2AMAPTLMNA
SCHEMBL1483465 0.80 TDP1 (0.45) NR1H4ALDH1A1KMT2AMAPTLMNA
SCHEMBL1483466 0.80 TDP1 (0.45) NR1H4ALDH1A1KMT2AMAPTLMNA

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
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed