SCHEMBL11199243

SCHEMBL11199243

C=CC(c1[c]nccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 3/20 0.38
HPGD P15428 3/20 0.34
USP2 O75604 2/20 0.34
TP53 P04637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CFTR P13569 1/20 0.32
GOPC Q9HD26 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3011286 0.73 KDM4E (0.41) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL246438 0.72 KDM4E (0.53) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL19689360 0.70 HTR2A (0.40) CYP3A4TDP1LMNASLC6A2SLC6A4
SCHEMBL28639731 0.70 KDM4E (0.52) KDM4EMAPTCYP3A4ALOX15HPGD
Ammonia Solution, Strong SCHEMBL27626967 0.70 KDM4E (0.52) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL28307922 0.69 CFTR (0.57) KDM4EMAPTCYP3A4ALOX15ALDH1A1
SCHEMBL7640862 0.67 KDM4E (0.39) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL28278739 0.66 KDM4E (0.44) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL10569701 0.66 SLC6A2 (0.57) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL29029215 0.66 SLC6A2 (0.57) KDM4EMAPTCYP3A4ALOX15HPGD

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-0022634-B1 ACYLATED INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS AND DRUGS COMPRISING THEM TEIJIN LIMITED (JP) 1983-04-06 EP disclosed