SCHEMBL7679653

SCHEMBL7679653

O=C(O)N1Cc2ccc([N+](=O)[O-])cc2NCC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
GRIN2B Q13224 4/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL6657656 0.86 ITGA4 (0.41) MAPTSMN1; SMN2HTTLMNAGRIN2B
SCHEMBL6633696 0.74 MEN1 (0.61) GRIN2BMEN1KMT2AMAPK1ALDH1A1
SCHEMBL6633642 0.73 FNTA (0.44) FAAHMGLL
SCHEMBL6615155 0.73 FNTA (0.44) FAAHMGLL
SCHEMBL6615906 0.73 MEN1 (0.60) GRIN2BMEN1KMT2AMAPK1ALDH1A1
SCHEMBL28474456 0.72 CMA1 (0.42)
SCHEMBL6614346 0.69 NR1H2 (0.44) MEN1KMT2AMAPK1
SCHEMBL27873428 0.69 CA1 (0.49) MAPTSMN1; SMN2HTTLMNAMAPK1
SCHEMBL5068055 0.69 MTNR1A (0.40) MAPTMEN1KMT2AMAPK1
SCHEMBL11890095 0.69 MTNR1A (0.40) MAPTMEN1KMT2AMAPK1

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
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed