SCHEMBL21547876

SCHEMBL21547876

CCc1nc(-c2nnco2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 2/20 0.38
NOTUM Q6P988 4/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.33

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
SCHEMBL25144989 0.77 NOTUM (0.44) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL21366302 0.72 CNR2 (0.37) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL25986910 0.70 NOTUM (0.39) NOTUMMAPTALDH1A1RAB9AHPGD
SCHEMBL12469961 0.69 PPARA (0.48) TSHRNOTUM
SCHEMBL21808096 0.69 SMN1; SMN2 (0.39) ACACBACACAAPOBEC3AAPOBEC3GTSHR
SCHEMBL764028 0.68
SCHEMBL12469959 0.67 NOTUM (0.33) NOTUM
SCHEMBL91541 0.66 NOTUM (0.68) ACACBACACATSHRNOTUMMAPT
SCHEMBL14873222 0.66 ACACB (0.57) ACACBACACAMAPTALDH1A1RAB9A
SCHEMBL12906161 0.65 NOTUM (0.59) TSHRNOTUMMAPTALDH1A1HPGD

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-3564239-A1 ARYL HYDROCARBON RECEPTOR MODULATOR Shenzhen Immunova Pharmaceutical Co., Ltd. (CN) 2019-11-06 EP disclosed