SCHEMBL29367205

SCHEMBL29367205

O=C(NCc1cccnc1)c1cscn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.69
MMP13 P45452 1/20 0.65
POLB P06746 2/20 0.63
TSHR P16473 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RECQL P46063 1/20 0.55
USP2 O75604 1/20 0.54
NPC1 O15118 3/20 0.54
PKM P14618 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.53
LMNA P02545 3/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL19476144 0.84 MMP13 (0.60) HTTMMP13KMT2ARAB9ASMN1; SMN2
SCHEMBL16598258 0.83 HTT (0.76) HTTMMP13POLBTSHRKMT2A
SCHEMBL29800992 0.82 HTT (1.00) HTTMMP13POLBTSHRKMT2A
SCHEMBL18416069 0.79 MMP13 (1.00) HTTMMP13POLBTSHRKMT2A
SCHEMBL5209577 0.78 MMP13 (0.73) HTTMMP13POLBTSHRKMT2A
SCHEMBL13728048 0.78 MMP13 (0.77) HTTMMP13POLBTSHRKMT2A
SCHEMBL29505822 0.76 SLC40A1 (0.48) HTTMMP13POLBTSHRKMT2A
SCHEMBL4174785 0.76 SMN1; SMN2 (0.59) HTTPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL23063797 0.76 HTT (0.69) HTTMMP13POLBTSHRKMT2A
SCHEMBL5095582 0.76 POLB (0.67) HTTMMP13POLBTSHRKMT2A

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-112675170-B Application of V027-0576 in preparation of antitumor drugs 南华大学附属第一医院 2022-02-01 CN disclosed