SCHEMBL8903009

SCHEMBL8903009

CCCCCCCCCCC(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MAPK1 P28482 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 2/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
CYP2C19 P33261 1/20 0.63
HIF1A Q16665 1/20 0.63
GMNN O75496 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
ALOX5 P09917 1/20 0.63
HPGD P15428 1/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63
MTOR P42345 1/20 0.63

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
SCHEMBL10632490 0.99 MAPK1 (0.64) KMT2AMAPK1SMN1; SMN2MEN1TP53
SCHEMBL4568931 0.91 KMT2A (0.54) KMT2AMAPK1SMN1; SMN2MEN1TP53
SCHEMBL10360245 0.87 RXRA (0.55) KMT2AMAPK1SMN1; SMN2MEN1TP53
SCHEMBL10656521 0.86 ALOX5 (0.69) KMT2AMAPK1SMN1; SMN2MEN1TP53
Hydrochloric Acid SCHEMBL10360028 0.86 MAPK1 (0.59) KMT2AMAPK1SMN1; SMN2MEN1TP53
SCHEMBL11277069 0.86 KMT2A (0.51) KMT2AMAPK1SMN1; SMN2MEN1TP53
SCHEMBL10359988 0.86 CYSLTR2 (0.53) KMT2AMAPK1SMN1; SMN2MEN1TP53
SCHEMBL10359980 0.86 MRGPRX4 (0.59) KMT2AMAPK1SMN1; SMN2MEN1TP53
Hydrochloric Acid SCHEMBL10360268 0.85 MAPK1 (0.55) KMT2AMAPK1SMN1; SMN2MEN1TP53
SCHEMBL20816018 0.85 KMT2A (0.57) KMT2AMAPK1SMN1; SMN2MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627189-A Insecticidal 5-substituted-2,4-diaminopyrimidine derivatives FMC CORPORATION (US) 1997-05-06 US disclosed
US-5587379-A CONTROLLING INSECTS IN AGRICULTURAL CROPS FMC CORPORATION (US) 1996-12-24 US disclosed
US-5521192-A TOBACCO BUDWORM, CABBAGE LOOPER, BEET ARMYWORM FMC CORPORATION (US) 1996-05-28 US disclosed
EP-0671881-A4 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES. FMC CORP (US) 1996-03-27 EP disclosed
EP-0671881-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1995-09-20 EP disclosed
WO-1994012032-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1994-06-09 WO disclosed