SCHEMBL8993763

SCHEMBL8993763

O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
RAD52 P43351 1/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
ELANE P08246 1/20 0.47
RECQL P46063 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.42

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
SCHEMBL7234130 0.79 RAD52 (0.56) RAD52KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8265639 0.77 RAD52 (0.55) RAD52KMT2AALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8993826 0.77 ALDH1A1 (0.51) KMT2AALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL6980198 0.74 ELANE (0.55) RAD52KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3713978 0.74 RAD52 (0.52) RAD52KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL15804004 0.74 ELANE (0.70) PKMRAD52KMT2AALDH1A1SMN1; SMN2
SCHEMBL7284088 0.72 RAD52 (0.50) RAD52KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8993820 0.71 ELANE (0.52) RAD52KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8993761 0.71 RAD52 (0.47) RAD52KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL25434321 0.70 RECQL (0.55) RAD52KMT2AALDH1A1KDM4ESMN1; SMN2

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-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed