SCHEMBL6187040

SCHEMBL6187040

Cc1c(C(=O)c2c(Cl)cccc2Cl)[nH]c2ccc(N)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NGFR P08138 1/20 0.42
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
PARP1 P09874 1/20 0.38
GAA P10253 3/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6185980 0.83 LMNA (0.41) NGFRMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6186247 0.80 ALDH1A1 (0.67) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL8315715 0.78 ALDH1A1 (0.59) NGFRMAPTSMN1; SMN2THRBMEN1
SCHEMBL6185251 0.77 HPGD (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6187358 0.77 F2R (0.51) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6188924 0.75 LMNA (0.39) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6185359 0.75 MAOA (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDPOLB
SCHEMBL6188736 0.75 MAOA (0.51) SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL6186086 0.74 MAPT (0.39) MAPTSMN1; SMN2THRBLMNAMEN1
SCHEMBL13684477 0.73 ALDH1A1 (0.57) NGFRMAPTSMN1; SMN2THRBLMNA

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
EP-1554271-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2005-07-20 EP disclosed
WO-2004035571-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2004-04-29 WO disclosed