SCHEMBL8040184

SCHEMBL8040184

Cc1nc2c([N+](=O)[O-])ccc(O)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.51
CTSH P09668 1/20 0.51
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
BRD4 O60885 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ALOX12 P18054 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL8040086 0.81 KDM4E (0.45) CTSBCTSHMAPTMEN1KMT2A
SCHEMBL22439175 0.74 NQO2 (0.43) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL30076339 0.73 MAPT (0.49) CTSBCTSHMAPTMEN1KMT2A
SCHEMBL28991131 0.73 MAPT (0.49) CTSBCTSHMAPTMEN1KMT2A
SCHEMBL8040099 0.73 SMN1; SMN2 (0.43) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL15880740 0.72 TDP1 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27632064 0.71 SMN1; SMN2 (0.45) CTSBCTSHMAPTMEN1KMT2A
SCHEMBL21681205 0.70 HTT (0.44) CTSBCTSHMAPTMEN1KMT2A
SCHEMBL10551923 0.69 MEN1 (0.62) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL31444804 0.68 MAPT (0.56) CTSBCTSHMAPTMEN1KMT2A

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
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 WO disclosed