SCHEMBL27849201

SCHEMBL27849201

Cn1cc([N+](=O)[O-])nc1CCBr

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.37
SOS1 Q07889 1/20 0.35
KMT2A Q03164 3/20 0.35
MITF O75030 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL869168 0.86 ALDH1A1 (0.45) ALDH1A1PKMSOS1KMT2AMITF
SCHEMBL18786131 0.81 ALDH1A1 (0.50) ALDH1A1PKMSOS1KMT2AMITF
SCHEMBL8276768 0.79 ALDH1A1 (0.45) ALDH1A1PKMSOS1KMT2AMITF
SCHEMBL5035092 0.79 ALDH1A1 (0.45) ALDH1A1PKMSOS1KMT2AMITF
SCHEMBL868798 0.79 ALDH1A1 (0.45) ALDH1A1PKMSOS1KMT2AMITF
SCHEMBL3282371 0.73 ALDH1A1 (0.44) ALDH1A1PKMSOS1KMT2AMITF
SCHEMBL14388774 0.72 MITF (0.43) ALDH1A1PKMSOS1KMT2AMITF
SCHEMBL11864264 0.72 MITF (0.43) ALDH1A1PKMSOS1KMT2AMITF
SCHEMBL11377647 0.71 MITF (0.39) ALDH1A1PKMSOS1KMT2AMITF
SCHEMBL27996346 0.71 ALDH1A1 (0.38) ALDH1A1PKMSOS1KMT2AMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105541836-A Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LTD 2016-05-04 CN disclosed
CN-102574846-B Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LTD 2014-12-03 CN disclosed
CN-102348708-A Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LTD 2012-02-08 CN disclosed