SCHEMBL28623338

SCHEMBL28623338

CS(=O)(=O)N1CCNCC1C1=C(Cl)C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.43
HTR2B P41595 9/20 0.43
HTR2A P28223 8/20 0.43
NSD2 O96028 3/20 0.41
CCR6 P51684 2/20 0.41
G6PD P11413 1/20 0.41
TDP2 O95551 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
IDO1 P14902 1/20 0.38
DNMT1 P26358 1/20 0.38
DNMT3L Q9UJW3 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK3 P27361 1/20 0.38
MAP3K8 P41279 1/20 0.38
MAP2K1 Q02750 1/20 0.38
POLB P06746 2/20 0.37
CASP3 P42574 2/20 0.37
GALK1 P51570 2/20 0.37

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
SCHEMBL28623340 0.73 NSD2 (0.46) HTR2CHTR2BHTR2ANSD2CCR6
SCHEMBL10558378 0.71 IDO1 (0.46) HTR2CHTR2BHTR2ANSD2CCR6
SCHEMBL7017637 0.69 HTR2C (0.38) HTR2CHTR2BHTR2AKMT2AMAPT
SCHEMBL1666925 0.68 HTR2C (0.33) HTR2CHTR2BHTR2AKMT2AALDH1A1
SCHEMBL10556652 0.67 NSD2 (0.67) HTR2CHTR2BHTR2ANSD2CCR6
SCHEMBL12536836 0.66 PSEN1 (0.46) KMT2AALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL12536865 0.66 MAPT (0.45) MAPTALDH1A1L3MBTL1LMNA
SCHEMBL28710152 0.66 HTR2C (0.42) HTR2CHTR2BHTR2APOLB
Hydrochloric Acid SCHEMBL31302142 0.64 SLC6A2 (0.56) KMT2AMITF
Hydrochloric Acid SCHEMBL31302259 0.64 SLC6A2 (0.56) KMT2AMITF

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