SCHEMBL18896263

SCHEMBL18896263

CCn1cc2ccc([N+](=O)[O-])cc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NFKB1 P19838 1/20 0.57
CASP3 P42574 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41

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
SCHEMBL21316559 0.88 MAPT (0.67) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18638439 0.88 MAPT (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18638758 0.86 MAPT (0.63) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL24767556 0.85 MAPT (0.62) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19462310 0.82 MAPT (0.62) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15244022 0.82 MAPT (0.62) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5860929 0.82 MAPT (0.62) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5862896 0.81 MAPT (0.57) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3384218 0.80 MAPT (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19462375 0.80 MAPT (0.59) MAPTMEN1KMT2ANPC1RAB9A

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-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 US disclosed