SCHEMBL7410941

SCHEMBL7410941

Cc1cc(C)c(N(C(=O)O)C(C)(C)C)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8800589 0.74 KDM4E (0.35) HTTL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL11001481 0.71 SMN1; SMN2 (0.49) HTTL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8802786 0.71 ALDH1A1 (0.38) HTTL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL7412461 0.70 KDM4E (0.41) KDM4ETSHRMAPTKMT2ALMNA
SCHEMBL1699332 0.70 ATR (0.36) ALDH1A1KDM4ELMNARAB9A
SCHEMBL938017 0.69 CYP3A4 (0.33) HTTALDH1A1TSHRMAPTKMT2A
SCHEMBL1816434 0.68 PGR (0.40) LMNA
SCHEMBL1813435 0.68 HSD11B1 (0.37)
SCHEMBL19723251 0.68 MEN1 (0.40) ALDH1A1TSHRMAPTKMT2ALMNA
SCHEMBL8801278 0.68 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRRAB9APOLB

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
EP-0640080-B1 SUBSTITUTED INDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX INC (US) 1997-10-22 EP disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed