SCHEMBL11052129

SCHEMBL11052129

Cc1cccc(C)c1NC(=N)NC(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2B P41595 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
LCK P06239 1/20 0.44
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL11054677 0.91 LMNA (0.40) POLBDRD2HTR2AHTR2BPKM
SCHEMBL11052870 0.90 PDK1 (0.51) POLBLMNATSHRLCKKMT2A
SCHEMBL11578638 0.90 KMT2A (0.40) POLBDRD2HTR2AHTR2BPKM
SCHEMBL11252413 0.89 POLB (0.51) POLBLMNATSHRALDH1A1KMT2A
SCHEMBL11580535 0.88 TBXA2R (0.39) POLBDRD2HTR2AHTR2BPKM
SCHEMBL11252206 0.88 ATM (0.50) POLBPKMLMNATSHRLCK
SCHEMBL11580953 0.88 RIPK1 (0.40) POLBDRD2HTR2AHTR2BPKM
SCHEMBL11053168 0.88 POLB (0.54) POLBDRD2HTR2AHTR2BPKM
SCHEMBL11580626 0.87 ALDH1A1 (0.46) POLBDRD2HTR2AHTR2BPKM
SCHEMBL11581851 0.87 KCNMA1 (0.51) LMNATSHRLCKALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4488993-A Amidinoureas WILLIAM H. RORER, INC. 1984-12-18 US disclosed
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4220658-A Treatment of hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-02 US disclosed
US-4115564-A Treatment of diarrhea with amidinoureas WILLIAM H. RORER, INC. (US) 1978-09-19 US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed
US-4025652-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1977-05-24 US disclosed