SCHEMBL28941019

SCHEMBL28941019

Cn1ccc2cc(OC(N)=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
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
CYP2A6 P11509 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNA7 P36544 2/20 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
SCHEMBL26699112 0.87 CYP2A6 (0.46) PRKCITUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29518325 0.85 TUBB4A (0.49) PRKCITUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27593738 0.85 TUBB4A (0.49) PRKCITUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27762475 0.81 MTNR1A (0.47) PRKCITUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15322167 0.78 MAOA (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23084316 0.76 CCNC (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18756218 0.76 RAF1 (0.54) PRKCICHRNA7KDM4CKDR
SCHEMBL30444309 0.75 PRKCI (0.55) PRKCITUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5080973 0.75 PRKCI (0.55) PRKCITUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30098896 0.75 AR (0.64) PRKCITUBB4ATUBBTUBA3CTUBA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed