SCHEMBL28525673

SCHEMBL28525673

COc1c(N)ccc([C]=O)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 2/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL5580411 0.79 MAPT (0.53) TDP1MAPTTUBB4ATUBBTUBA3C
SCHEMBL6138737 0.72 IDO1 (0.45) TDP1MAPTTUBB4ATUBBTUBA3C
SCHEMBL17368405 0.72 TUBB4A (0.39) TDP1MAPTTUBB4ATUBBTUBA3C
SCHEMBL5580413 0.71 CA1 (0.41) TDP1MAPTALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL9121591 0.71 EP300 (0.47) TDP1MAPTTUBB4ATUBBTUBA3C
SCHEMBL21063886 0.71 ALDH1A1 (0.34) TDP1MAPTTUBB4ATUBBTUBA3C
SCHEMBL791130 0.70 MAPT (0.66) TDP1MAPTALDH1A1KDM4EMEN1
SCHEMBL16369634 0.70 MAPT (0.47) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL27516402 0.70 ALDH1A1 (0.44) TDP1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL28366576 0.70 ALDH1A1 (0.46) TDP1MAPTTUBB4ATUBBTUBA3C

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-105793424-B Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2021-02-19 CN disclosed