SCHEMBL13679600

SCHEMBL13679600

CC(=O)Nc1ccc(O)c(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.69
▸ KDM4E B2RXH2 8/20 0.66
▸ ALDH1A1 P00352 7/20 0.66
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ TP53 P04637 5/20 0.65
▸ POLB P06746 2/20 0.65
▸ RAB9A P51151 5/20 0.57
▸ MAPT P10636 2/20 0.57
▸ HPGD P15428 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.55
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ KLK7 P49862 1/20 0.53

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
SCHEMBL8352834 0.86 ALDH1A1 (0.67) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4496122 0.82 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2244714 0.80 HPSE (0.79) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2244254 0.80 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2784089 0.78 RAB9A (0.67) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1899066 0.78 AURKA (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7396100 0.77 AMY1A (0.64) ADORA2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL16142437 0.77 F2 (0.62) ADORA2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL29595013 0.77 F2 (0.62) ADORA2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL31429745 0.77 F2 (0.62) ADORA2AKDM4EALDH1A1SMN1; SMN2MEN1

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-1482928-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2009-09-23 — — EP disclosed
Send feedback