SCHEMBL6186801

SCHEMBL6186801

COc1cccc(OC)c1C(=O)c1c(C)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 3/20 0.51
MCL1 Q07820 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
PKM P14618 1/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46

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
SCHEMBL6184844 0.85 ALDH1A1 (0.53) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6186570 0.83 ALDH1A1 (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28524078 0.82 MEN1 (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6191071 0.81 TUBB1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6187137 0.79 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6189554 0.79 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28362604 0.79 POLB (0.59) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5327852 0.79 ALDH1A1 (0.68) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11250386 0.78 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMCL1MEN1
SCHEMBL6634172 0.75 MAPT (0.56) ALDH1A1MAPTLMNAMEN1KMT2A

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