SCHEMBL11412554

SCHEMBL11412554

CCc1cc(C)c(NC(=N)NC(=N)N)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CHRNA7 P36544 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
BACE1 P56817 2/20 0.31

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
SCHEMBL11833431 0.92 SIGMAR1 (0.33) TSHRSMN1; SMN2SIGMAR1BACE1
SCHEMBL11848079 0.87 SIGMAR1 (0.35) TSHRKMT2AMEN1LMNASMN1; SMN2
SCHEMBL11274752 0.86 TSHR (0.44) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11137539 0.86 ALDH1A1 (0.39) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11412481 0.83 HTT (0.50) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11419376 0.83 RAPGEF4 (0.45) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11839280 0.81 HTT (0.35) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11841298 0.81 HTT (0.35) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11282636 0.81 HTT (0.38) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11838665 0.78 CYP3A4 (0.31) TSHRALDH1A1MAPTHTTLMNA

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
US-4216230-A Method for alleviating hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-08-05 US disclosed
US-4216229-A 1-AMIDINO-3-PHENYLUREAS WILLIAM H. RORER, INC. (US) 1980-08-05 US disclosed
US-3959488-A 1-Substituted biguanides for treating hyperacidity or ulceration WILLIAM H. RORER, INC. (US) 1976-05-25 US disclosed