SCHEMBL30625926

SCHEMBL30625926

CC(C)Oc1c([N+](=O)[O-])ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ MAPT P10636 7/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 4/20 0.45
▸ GLA P06280 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MYC P01106 1/20 0.42
▸ MAX P61244 1/20 0.42
▸ SENP5 Q96HI0 1/20 0.41
▸ SENP2 Q9HC62 1/20 0.41
▸ SENP1 Q9P0U3 1/20 0.41
▸ SLC12A2 P55011 1/20 0.40
▸ SLC12A5 Q9H2X9 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MAPK1 P28482 2/20 0.40

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
SCHEMBL20764575 1.00 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL20764595 0.87 CTSV (0.44) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL17775441 0.80 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL17775433 0.80 MYC (0.54) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL16369635 0.79 MYC (0.62) MEN1KMT2AMAPTGAAMYC
SCHEMBL16369625 0.79 CTSV (0.48) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL20764535 0.76 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL28511094 0.74 MYC (0.51) MEN1KMT2AMAPTMYCMAX
SCHEMBL31311063 0.73 SMN1; SMN2 (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL31311006 0.71 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1GAA

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-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 — — CN disclosed
Send feedback