SCHEMBL28613897

SCHEMBL28613897

CCOC(=O)c1c(F)c(S(=O)(=O)NC2COCC2CO)cn1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.31
TSHR P16473 3/20 0.31
GAA P10253 2/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCR8 P51685 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
ATM Q13315 1/20 0.30
RAB9A P51151 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
SCHEMBL28613899 1.00 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL28618546 0.89 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL21670190 0.89 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL21699995 0.89 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL21670200 0.87
SCHEMBL21699976 0.86 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL29592764 0.86 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL21670196 0.86 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL21700019 0.86 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2KMT2ATP53
SCHEMBL21682570 0.84 LMNA (0.40) ALDH1A1LMNASMN1; SMN2TP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272309-B Tricyclic inhibitors of hepatitis b virus 圣拉斐尔医院有限公司 2024-02-23 CN disclosed
CN-113272309-A Tricyclic inhibitors of hepatitis B virus 圣拉斐尔医院有限公司 2021-08-17 CN disclosed