SCHEMBL16093634

SCHEMBL16093634

CCCn1c2ccc(CC=O)cc2c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ POLB P06746 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CYP1A2 P05177 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ CNR1 P21554 3/20 0.43
▸ CNR2 P34972 3/20 0.43
▸ F2RL3 Q96RI0 1/20 0.42
▸ ACHE P22303 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CFTR P13569 1/20 0.40

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
SCHEMBL30013273 0.88 MAPT (0.66) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL9397206 0.81 MAPT (0.79) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL16093698 0.80 ALDH1A1 (0.58) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL7963373 0.80 MAPT (0.64) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL16099561 0.79 KDM4E (0.47) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL16093752 0.79 HPGD (0.44) MAPTMEN1KMT2ALMNACNR2
SCHEMBL16097572 0.79 ALDH1A1 (0.44) MAPTLMNASIGMAR1
SCHEMBL16093633 0.77 MAPT (0.54) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL3039635 0.77 MAPT (0.59) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL16099757 0.76 PTGER4 (0.54) MAPTMEN1KMT2APOLBCNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
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