SCHEMBL28657004

SCHEMBL28657004

Cc1ccc(C(=O)O)c(NC(=O)OC(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.40
ATR Q13535 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 2/20 0.36
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
LCK P06239 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL28652076 0.85 PRMT1 (0.39) PRMT1ATRSMN1; SMN2MEN1KMT2A
SCHEMBL1646973 0.81 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL21065281 0.80 PRMT1 (0.38) PRMT1ATRSMN1; SMN2MEN1KMT2A
SCHEMBL7766271 0.78 TSHR (0.51) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7760598 0.78 TSHR (0.51) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL28088184 0.78 MAPT (0.45) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL8651106 0.77 ATR (0.47) ATRMEN1KMT2AALDH1A1MAPT
SCHEMBL29057008 0.77 ATR (0.42) ATRMEN1KMT2AALDH1A1MAPT
SCHEMBL3532253 0.76 ATR (0.40) ATRMEN1KMT2APOLBRAB9A
SCHEMBL29754593 0.75 PRMT1 (0.40) PRMT1SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113544113-B Synthesis method of candesartan cilexetil intermediate 临海市华南化工有限公司 2023-12-26 CN disclosed
CN-113544113-A Synthesis method of candesartan cilexetil intermediate 临海市华南化工有限公司 2021-10-22 CN disclosed