SCHEMBL28596138

SCHEMBL28596138

O=S1(=O)NC(CC=Cc2ccccc2)=Nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PAM P19021 1/20 0.35
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
LMNA P02545 2/20 0.34
SIGMAR1 Q99720 2/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL8447152 0.74 KMT2A (0.38) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL5880589 0.72 CA12 (0.41) ALPLALPIKMT2AMEN1LMNA
SCHEMBL28591321 0.72 CA12 (0.39) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL6431070 0.68 CA12 (0.42) ALPLALPIKMT2AMEN1LMNA
SCHEMBL5782636 0.68 HSD17B10 (0.41) LMNAMAPTALDH1A1KDM4ECA12
SCHEMBL28241854 0.66 KDM4E (0.39) ALPLALPIKMT2AMEN1LMNA
SCHEMBL11695481 0.65 CA12 (0.41) ALPLALPIKMT2AMEN1LMNA
SCHEMBL18953560 0.65 CA12 (0.41) ALPLALPIKMT2AMEN1LMNA
SCHEMBL5624611 0.62 L3MBTL1 (0.38) ALPLALPIKMT2AMEN1LMNA
SCHEMBL6555497 0.62 CA12 (0.38) ALPLALPIKMT2AMEN1LMNA

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
CN-113121470-A Preparation method of benzothiadiazine-1, 1-dioxide compound 天津理工大学 2021-07-16 CN disclosed