SCHEMBL26855341

SCHEMBL26855341

NCCNC(=O)c1ccc2c(c1)/C(=N\O)c1nc3cc(Cl)ccc3c(=O)n1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ TERT O14746 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ PTAFR P25105 1/20 0.39

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
SCHEMBL26855588 0.90 POLB (0.44) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL26614146 0.89 APAF1 (0.53) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL26855589 0.86 POLB (0.41) MEN1KMT2AAPAF1POLBEGFR
SCHEMBL26614232 0.81 APAF1 (0.57) MEN1KMT2AAPAF1POLBEGFR
SCHEMBL26614211 0.79 APAF1 (0.50) MEN1KMT2AAPAF1POLBEGFR
SCHEMBL30639057 0.79 APAF1 (0.50) MEN1KMT2AAPAF1POLBEGFR
SCHEMBL26855333 0.78 POLB (0.41) MEN1KMT2AAPAF1POLBEGFR
SCHEMBL26862920 0.78 IDO1 (0.53) MEN1KMT2ATERTAPAF1IDO1
Hydrochloric Acid SCHEMBL26614186 0.77 IDO1 (0.53) MEN1KMT2ATERTAPAF1IDO1
SCHEMBL26855335 0.76 APAF1 (0.48) MEN1KMT2AAPAF1POLBEGFR

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
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
Send feedback