SCHEMBL11038883

SCHEMBL11038883

N#CC1=Cc2ccccc2C1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
HTR2A P28223 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
BRCA1 P38398 1/20 0.33
CUL4A Q13619 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EP300 Q09472 1/20 0.33
TTR P02766 1/20 0.32
GALK1 P51570 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
Iodide SCHEMBL27933046 0.72 HTR2A (0.36) HPGDALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL27948665 0.72 HTR2A (0.36) HPGDALDH1A1KMT2AMEN1MAPT
Bromide SCHEMBL27948640 0.72 HTR2A (0.40) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL7194827 0.72 HTR2A (0.36) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL299429 0.72 CALM1 (0.38) HPGDALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL27948650 0.72 HTR2A (0.36) HPGDALDH1A1KMT2AMEN1MAPT
Fluoride Ion SCHEMBL27932967 0.72 HTR2A (0.36) HPGDALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL27933255 0.72 HTR2A (0.36) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL30605591 0.72 CALM1 (0.38) HPGDALDH1A1KMT2AMEN1MAPT
Iodide SCHEMBL27948770 0.72 HTR2A (0.36) HPGDALDH1A1KMT2AMEN1MAPT

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
EP-0001655-A2 Compositions comprising as active ingredients cyanobenzyl(idene)-aniline derivatives, the use of the compositions as plant growth regulants and a method for the preparation of the active ingredients SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-05-02 EP claimed
EP-0097107-B1 PHENYLIMINO-2-ACETIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN REGULATING THE GROWTH OF PLANTS RHONE-POULENC AGROCHIMIE (FR) 1985-09-18 EP disclosed
EP-0097107-A1 Phenylimino-2-acetic-acid derivatives, their preparation and their use in regulating the growth of plants RHONE-POULENC AGROCHIMIE (FR) 1983-12-28 EP disclosed
EP-0001655-A3 COMPOSITIONS COMPRISING AS ACTIVE INGREDIENTS CYANOBENZYL(IDENE)-ANILINE DERIVATIVES, THE USE OF THE COMPOSITIONS AS PLANT GROWTH REGULANTS AND A METHOD FOR THE PREPARATION OF THE ACTIVE INGREDIENTS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-05-16 EP disclosed
EP-0001655-A2 Compositions comprising as active ingredients cyanobenzyl(idene)-aniline derivatives, the use of the compositions as plant growth regulants and a method for the preparation of the active ingredients SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-05-02 EP disclosed
EP-0001655-A2 Compositions comprising as active ingredients cyanobenzyl(idene)-aniline derivatives, the use of the compositions as plant growth regulants and a method for the preparation of the active ingredients SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-05-02 EP disclosed