SCHEMBL30467007

SCHEMBL30467007

O=C(c1ccc2[nH]ccc2c1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.72
WNT3A P56704 8/20 0.72
KMT2A Q03164 1/20 0.53
HSD17B14 Q9BPX1 1/20 0.52
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
F2 P00734 1/20 0.45

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
SCHEMBL15969098 0.84 CTNNB1 (1.00) CTNNB1WNT3A
SCHEMBL21441179 0.80 CTNNB1 (0.82) CTNNB1WNT3ASLC6A2SLC6A4SLC6A3
SCHEMBL27594531 0.79 TUBB4A (0.67) CTNNB1WNT3ATUBB4ATUBBTUBA3C
SCHEMBL7266631 0.79 KMT2A (0.62) KMT2AHSD17B14F2MAPTRAB9A
SCHEMBL7000679 0.79 CTNNB1 (0.69) CTNNB1WNT3AKMT2ATUBB4ATUBB
SCHEMBL17927531 0.75 ABL1 (0.49) CTNNB1WNT3ATUBB4ATUBBTUBA3C
2-Picolinic Acid SCHEMBL10660099 0.75 LMNA (0.62) CTNNB1WNT3AKMT2AMAPTRAB9A
SCHEMBL21834527 0.75 DOT1L (0.62) KMT2AHSD17B14MAPTRAB9ANPC1
SCHEMBL6447473 0.74 F2 (0.59) CTNNB1WNT3ATUBB4ATUBBTUBA3C
Indole SCHEMBL3857973 0.74 CTNNB1 (0.53) CTNNB1WNT3AKMT2ARAB9ANPC1

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-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 CN disclosed