SCHEMBL28623340

SCHEMBL28623340

CS(=O)(=O)C1CNCCN1C1=C(Cl)C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.46
TDP2 O95551 2/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
POLB P06746 2/20 0.44
CASP3 P42574 2/20 0.44
GALK1 P51570 2/20 0.44
KMT2A Q03164 2/20 0.44
HKDC1 Q2TB90 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
MAPT P10636 2/20 0.44
APAF1 O14727 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
CCR6 P51684 2/20 0.43
G6PD P11413 1/20 0.43

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
SCHEMBL28623338 0.73 HTR2C (0.43) NSD2TDP2PLA2G1BATG4BPOLB
SCHEMBL5506261 0.73 ADRB1 (0.44) KMT2AMAPTHTR2CHTR2BHTR2A
SCHEMBL10556652 0.72 NSD2 (0.67) NSD2TDP2PLA2G1BATG4BPOLB
SCHEMBL5509277 0.71 ADRB1 (0.46) KMT2AHTR2CHTR2BHTR2AALDH1A1
SCHEMBL28070944 0.70 PLD1 (0.48) KMT2AMAPTHTR2CHTR2BHTR2A
SCHEMBL5358102 0.70 HTR2C (0.47) HTR2CHTR2BHTR2AADRB1
SCHEMBL5358095 0.70 HTR2C (0.47) HTR2CHTR2BHTR2AADRB1
SCHEMBL28059066 0.69 ALDH1A1 (0.41) KMT2AHTR2CHTR2BHTR2AALDH1A1
SCHEMBL17250437 0.68 NSD2 (0.60) NSD2TDP2PLA2G1BATG4BPOLB
SCHEMBL5509224 0.68 ADRB1 (0.39) HTR2CHTR2BHTR2AALDH1A1ADRB1

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-113372263-B Preparation method of 2-chloro-3-aminonaphthoquinone compound 温州医科大学 2022-04-19 CN disclosed
CN-113372263-A Preparation method of 2-chloro-3-aminonaphthoquinone compound 温州医科大学 2021-09-10 CN disclosed