SCHEMBL7412461

SCHEMBL7412461

Cc1ccc(N(C(=O)O)C(C)(C)C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
CYP2C9 P11712 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CSNK2A1 P68400 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
ADRA1A P35348 1/20 0.35
PPARG P37231 1/20 0.35
HTR2B P41595 1/20 0.35
PPARA Q07869 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35

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
SCHEMBL8801278 0.83 ALDH1A1 (0.43) KDM4ETP53SMN1; SMN2TSHRHTR2B
SCHEMBL550742 0.83 IDO1 (0.33) LMNA
SCHEMBL2191688 0.83 RAB9A (0.37) KDM4ECYP2C9MEN1KMT2ACYP1A2
SCHEMBL8802370 0.83 HSD17B1 (0.39) MEN1KMT2ATSHRLMNAHDAC3
SCHEMBL7412320 0.80 HTT (0.43) KDM4EMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL17102731 0.79 SMN1; SMN2 (0.39) KDM4ECYP2C9TDP1TP53MEN1
SCHEMBL8800589 0.79 KDM4E (0.35) KDM4EMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6005339 0.78 TRPM8 (0.46) TP53MEN1KMT2ATSHRLMNA
SCHEMBL19534969 0.78 HSD11B1 (0.40)
SCHEMBL935058 0.76 MEN1 (0.40) KDM4ETDP1TP53MEN1KMT2A

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