SCHEMBL19700528

SCHEMBL19700528

CCOC(=O)C[n+]1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
ERAP1 Q9NZ08 1/20 0.47
USP2 O75604 1/20 0.41
APOBEC3A P31941 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NLRP3 Q96P20 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
Hydrochloric Acid SCHEMBL11606548 0.82 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT
Bromide SCHEMBL10806921 0.82 KDM4E (0.56) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL17339102 0.81 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
Bromide SCHEMBL893233 0.79 ERAP1 (0.49) KMT2AMEN1ALDH1A1KDM4EMAPT
Bromide SCHEMBL17339130 0.79 ERAP1 (0.49) KMT2AMEN1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL11422962 0.78 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4EMAPT
Bromide SCHEMBL7401891 0.78 ERAP1 (0.48) KMT2AMEN1ALDH1A1KDM4EMAPT
Bromide SCHEMBL9210341 0.72 ERAP1 (0.45) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL28555637 0.71 KMT2A (0.57) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL17130343 0.71 PKM (0.42) KMT2AMEN1ALDH1A1KDM4ETSHR

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
WO-2017214269-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed