SCHEMBL29157409

SCHEMBL29157409

O=C(O)[C@@H]1CCCN1c1ccc(Br)c(F)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 3/20 0.47
SERPINE1 P05121 3/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.36
KEAP1 Q14145 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 2/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.35
CA2 P00918 1/20 0.34

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
SCHEMBL29157405 0.80 KMT2A (0.40) SMN1; SMN2MAPTSERPINE1ALDH1A1KMT2A
SCHEMBL1653895 0.78 SMN1; SMN2 (0.64) SMN1; SMN2MAPTSERPINE1ALDH1A1KMT2A
SCHEMBL23851965 0.75 ALDH1A1 (0.58) SMN1; SMN2MAPTALDH1A1KMT2AMAPK1
SCHEMBL31588192 0.75 ALDH1A1 (0.58) SMN1; SMN2MAPTALDH1A1KMT2AMAPK1
SCHEMBL31693952 0.74 MAPT (0.56) SMN1; SMN2MAPTSERPINE1ALDH1A1MAPK1
SCHEMBL6541698 0.74 MAPT (0.56) SMN1; SMN2MAPTSERPINE1ALDH1A1MAPK1
SCHEMBL7978483 0.73 SMN1; SMN2 (0.68) SMN1; SMN2MAPTSERPINE1ALDH1A1KMT2A
SCHEMBL7981185 0.73 SMN1; SMN2 (0.68) SMN1; SMN2MAPTSERPINE1ALDH1A1KMT2A
SCHEMBL27692447 0.73 TDP1 (0.63) SMN1; SMN2MAPTSERPINE1ALDH1A1KMT2A
SCHEMBL2064392 0.73 TDP1 (0.63) SMN1; SMN2MAPTSERPINE1ALDH1A1KMT2A

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
CN-117263943-A Selective inhibitors of poly (ADP-ribose) polymerase 轩竹生物科技股份有限公司 2023-12-22 CN disclosed