SCHEMBL5593372

SCHEMBL5593372

Cc1ccc([N+](=O)[O-])cc1-c1cc(CNC(=O)O)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
AKR1C3 P42330 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
JAK2 O60674 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL5593366 1.00 KMT2A (0.42) KMT2APOLBMEN1SMN1; SMN2CYP1A2
SCHEMBL5604301 0.82 POLB (0.45) POLBSMN1; SMN2CYP1A2ALDH1A1LMNA
SCHEMBL5593509 0.79 GAA (0.44) KMT2APOLBMEN1ALDH1A1TSHR
SCHEMBL5593513 0.79 GAA (0.44) KMT2APOLBMEN1ALDH1A1TSHR
SCHEMBL14473328 0.76 ALDH1A1 (0.43) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL5593369 0.75 ALDH1A1 (0.40) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5593031 0.75 ALDH1A1 (0.42) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL5593426 0.71 GABRA1 (0.43) KMT2APOLBMEN1SMN1; SMN2CYP1A2
SCHEMBL6408045 0.71 MAPT (0.52) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL5604172 0.70 MAPT (0.49) KMT2APOLBMEN1SMN1; SMN2CYP1A2

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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed