SCHEMBL28972124

SCHEMBL28972124

O=C(O)NNCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.42
HTR2A P28223 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
EPHX2 P34913 1/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL3056191 0.82 PTPN1 (0.38)
SCHEMBL29579635 0.81 HTR2A (0.45) KMT2AMAPTHTR2AHDAC3HDAC4
SCHEMBL88302 0.81 HTR2A (0.45) KMT2AMAPTHTR2AHDAC3HDAC4
Ammonia Solution, Strong SCHEMBL28099493 0.80 HTR2A (0.44) KMT2AMAPTHTR2AHDAC3HDAC4
SCHEMBL1567087 0.74 HTR2A (0.45) KMT2AMAPTHTR2AHDAC3HDAC4
SCHEMBL29354284 0.74 KMT2A (0.52) KMT2AMAPTHTR2AHDAC3HDAC4
SCHEMBL1358455 0.74 KMT2A (0.52) KMT2AMAPTHTR2AHDAC3HDAC4
SCHEMBL19929061 0.74 KMT2A (0.64) KMT2AEPHX2FABP7FABP5
Hexane SCHEMBL28816063 0.73 BCHE (0.45) KMT2AHTR2AEPHX2MEN1
SCHEMBL3757636 0.73 KMT2A (0.72) KMT2AEPHX2FABP7FABP5CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867795-A Novel method for producing antibody-immunostimulant conjugate 第一三共株式会社 2023-10-10 CN claimed
CN-116867795-A Novel method for producing antibody-immunostimulant conjugate 第一三共株式会社 2023-10-10 CN disclosed
CN-115667286-A PSD-95 cyclic peptide inhibitor and application thereof 哥本哈根大学 2023-01-31 CN disclosed
CN-114746095-A HCK as therapeutic target of MYD88 mutant disease 达纳-法伯癌症研究所有限公司 2022-07-12 CN disclosed