SCHEMBL9623085

SCHEMBL9623085

CCOC(=O)c1cc2[nH]c3ccc(F)cc3c2cc1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
KMT2A Q03164 7/20 0.52
KDM4E B2RXH2 5/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.52
HCRTR1 O43613 2/20 0.52
RAB9A P51151 1/20 0.52
KIF11 P52732 1/20 0.50
GABRA1 P14867 3/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
GABRA2 P47869 3/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL7979591 0.84 KDM4E (0.72) NPC1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL9623129 0.83 ALDH1A1 (0.57) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL9622456 0.83 KDM4E (0.70) NPC1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL9622760 0.82 ALDH1A1 (0.66) NPC1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL7378899 0.79 GABRA1 (0.74) NPC1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24375425 0.79 KMT2A (0.58) NPC1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL3283431 0.79 ALDH1A1 (0.69) NPC1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL9937467 0.79 GAA (0.72) NPC1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30175047 0.79 ALDH1A1 (0.61) KMT2AKDM4EALDH1A1MEN1GABRA1
SCHEMBL5313637 0.79 ALDH1A1 (0.61) KMT2AKDM4EALDH1A1MEN1GABRA1

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
US-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US disclosed