SCHEMBL8524019

SCHEMBL8524019

COc1nn(C)c(=O)n1-c1ccccc1Oc1nc(C(C)=O)cs1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
LMNA P02545 1/20 0.34
APLNR P35414 6/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 1/20 0.32
KDM1A O60341 1/20 0.32
THRB P10828 1/20 0.32
HPD P32754 1/20 0.32

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
SCHEMBL8524457 0.76 SMN1; SMN2 (0.34) TSHRSMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL8809898 0.74 F2RL3 (0.42) KDM4EALDH1A1
SCHEMBL8484212 0.73 SMN1; SMN2 (0.47) TSHRSMN1; SMN2RAB9AALDH1A1ADRA1A
SCHEMBL8595988 0.71 EIF4E (0.35) SMN1; SMN2RAB9ALMNANPC1THRB
SCHEMBL8811476 0.71 MAPT (0.38) SMN1; SMN2RAB9AKDM4EALDH1A1HPGD
SCHEMBL8810747 0.70 MEN1 (0.32) SMN1; SMN2LMNA
SCHEMBL8483512 0.70 KDM4E (0.45) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8814897 0.70 SMN1; SMN2 (0.34) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8590947 0.69 DHPS (0.37) SMN1; SMN2LMNATHRB
SCHEMBL8595340 0.69 RORB (0.34) SMN1; SMN2KDM4EALDH1A1HPGDLMNA

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-1999018102-A1 FUNGICIDAL AND ARTHROPODICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-04-15 WO disclosed