SCHEMBL28973441

SCHEMBL28973441

O=C(O)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
TSHR P16473 3/20 0.57
NPSR1 Q6W5P4 3/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
TRPM8 Q7Z2W7 6/20 0.52
CYP2C19 P33261 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
RIPK1 Q13546 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL4080378 0.86 POLB (0.69) POLBTDP1TSHRNPSR1HTT
SCHEMBL27232183 0.83 POLB (0.60) POLBTDP1TSHRNPSR1HTT
SCHEMBL6123067 0.81 POLB (0.62) POLBTDP1TSHRNPSR1HTT
SCHEMBL6121744 0.81 POLB (0.62) POLBTDP1TSHRNPSR1HTT
SCHEMBL6122785 0.81 POLB (0.62) POLBTDP1TSHRNPSR1HTT
SCHEMBL6122375 0.81 POLB (0.62) POLBTDP1TSHRNPSR1HTT
SCHEMBL6121791 0.81 POLB (0.62) POLBTDP1TSHRNPSR1HTT
SCHEMBL6123024 0.80 HDAC1 (0.72) POLBTDP1TSHRNPSR1HTT
SCHEMBL6121895 0.79 POLB (0.63) POLBTDP1TSHRTRPM8HDAC1
SCHEMBL6122160 0.78 POLB (0.68) POLBTDP1TSHRNPSR1HTT

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-115677681-A Preparation method of hepatitis B virus nucleocapsid inhibitor 上海挚盟医药科技有限公司 2023-02-03 CN disclosed