SCHEMBL6891634

SCHEMBL6891634

O=[N+]([O-])c1ccc(CN2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
GAA P10253 1/20 0.57
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSB P07858 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL11192692 0.88 LMNA (0.56) MEN1KMT2AGAAALDH1A1PKM
Hydrochloric Acid SCHEMBL11196111 0.85 LMNA (0.53) MEN1KMT2AGAACYP1A2ALDH1A1
SCHEMBL3152366 0.84 MEN1 (0.58) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL3865782 0.84 LMNA (0.59) MEN1KMT2ACYP1A2ALDH1A1PKM
SCHEMBL29358878 0.84 CTSB (0.59) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL9609632 0.82 ALDH1A1 (0.51) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL2209503 0.82 LMNA (0.60) MEN1KMT2AGAACYP1A2ALDH1A1
SCHEMBL14357296 0.81 MEN1 (0.55) MEN1KMT2AGAAALDH1A1PKM
SCHEMBL3171647 0.80 KCNJ1 (0.58) MEN1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL15687902 0.80 MEN1 (0.48) MEN1KMT2AGAAALDH1A1PKM

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-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed