SCHEMBL9039154

SCHEMBL9039154

CC(CC(=O)O)OC(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GAA P10253 3/20 0.50
▸ LMNA P02545 3/20 0.47
▸ RORC P51449 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PPARG P37231 1/20 0.47

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
SCHEMBL25285852 0.86 KDM4E (0.53) MEN1KMT2AKDM4ENPSR1GAA
SCHEMBL25285853 0.86 KDM4E (0.53) MEN1KMT2AKDM4ENPSR1GAA
SCHEMBL9039909 0.82 KDM4E (0.44) MEN1KMT2AKDM4ENPSR1GAA
SCHEMBL30987217 0.77 KDM4E (0.51) MEN1KMT2AKDM4ENPSR1GAA
SCHEMBL422653 0.77 GAA (0.64) MEN1KMT2AKDM4ENPSR1GAA
SCHEMBL4420346 0.76 SMN1; SMN2 (0.64) MEN1KMT2AKDM4ENPSR1GAA
SCHEMBL26343321 0.75 RAB9A (0.57) KMT2ANPSR1GAALMNASMN1; SMN2
SCHEMBL11669455 0.74 TP53 (0.51) MEN1KMT2AKDM4ENPSR1GAA
SCHEMBL5028361 0.74 GAA (0.61) MEN1KMT2AKDM4ENPSR1GAA
SCHEMBL27924934 0.74 GAA (0.56) MEN1KMT2AKDM4ENPSR1GAA

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
EP-0741733-A1 PHENYLIMINO-THIADIAZABICYCLOALKANE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES Novartis AG (CH) 1996-11-13 — — EP disclosed
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