SCHEMBL11269802

SCHEMBL11269802

Cc1cc(C)c(NC(=N)NC(=N)N)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
C1S P09871 1/20 0.42
PRSS3 P35030 1/20 0.42
RAPGEF4 Q8WZA2 3/20 0.41
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
LCK P06239 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11830753 0.88 LMNA (0.36) LMNAALDH1A1PRSS1PRSS2C1S
SCHEMBL11409212 0.88 RAPGEF4 (0.42) LMNAALDH1A1PRSS1PRSS2C1S
SCHEMBL11412481 0.88 HTT (0.50) LMNAALDH1A1RAPGEF4HPGDMEN1
SCHEMBL11842079 0.88 ALDH1A1 (0.38) LMNAALDH1A1PRSS1PRSS2C1S
SCHEMBL11410732 0.85 LMNA (0.41) LMNAALDH1A1RAPGEF4HPGDNLRP3
SCHEMBL11848097 0.85 ALDH1A1 (0.43) LMNAALDH1A1PRSS1PRSS2C1S
SCHEMBL11407137 0.85 RAPGEF4 (0.34) LMNAALDH1A1PRSS1PRSS2C1S
SCHEMBL11834635 0.85 LMNA (0.32) LMNAALDH1A1PRSS1PRSS2C1S
SCHEMBL11417465 0.85 RAPGEF4 (0.37) LMNAALDH1A1PRSS1PRSS2C1S
SCHEMBL11408930 0.84 RAPGEF4 (0.38) LMNAALDH1A1PRSS1PRSS2C1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4216229-A 1-AMIDINO-3-PHENYLUREAS WILLIAM H. RORER, INC. (US) 1980-08-05 US disclosed
US-4216230-A Method for alleviating hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-08-05 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed