SCHEMBL11246972

SCHEMBL11246972

Cc1cc(Cl)c(Cl)c(C)c1NC(=N)NC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ OGG1 O15527 1/20 0.31
▸ PLAU P00749 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL11251379 0.81 CYP1A2 (0.36) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL11092487 0.81 LMNA (0.37) HTTTSHRALDH1A1MAPTLMNA
SCHEMBL11256689 0.81 CRBN (0.31) POLBCYP1A2
SCHEMBL11252255 0.81 HTT (0.40) HTTTSHRALDH1A1AKT1LMNA
SCHEMBL11248653 0.81 HTT (0.55) HTTTSHRALDH1A1MAPTLMNA
SCHEMBL11096378 0.81 RAPGEF4 (0.42) HTTTSHRALDH1A1MAPTLMNA
SCHEMBL11259523 0.81 ALDH1A1 (0.38) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL11086646 0.78 HTT (0.44) HTTTSHRALDH1A1MAPTLMNA
SCHEMBL11266319 0.78 HTT (0.39) HTTTSHRALDH1A1MAPTLMNA
SCHEMBL11259908 0.78 CYP1A2 (0.36) ALDH1A1MAPTKMT2APOLBCYP1A2

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
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 — — US disclosed
US-4115564-A Treatment of diarrhea with amidinoureas WILLIAM H. RORER, INC. (US) 1978-09-19 — — US disclosed
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