SCHEMBL31228753

SCHEMBL31228753

Cc1cccc2[nH]cc(SC#N)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.49
ATM Q13315 1/20 0.39
HTR2A P28223 1/20 0.38
IDO1 P14902 3/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34

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
SCHEMBL31490972 0.80 IDO1 (0.49) GPR84IDO1IMPDH2IMPDH1LRRK2
SCHEMBL31490960 0.80 HTR2A (0.48) HTR2AIDO1TUBB4ATUBBTUBA3C
SCHEMBL31228906 0.76 CYP2A6 (0.46) IMPDH2IMPDH1MEN1KMT2A
SCHEMBL16789820 0.75 TUBB4A (0.55) GPR84ATMIDO1IMPDH2IMPDH1
SCHEMBL31490965 0.74 CLK1 (0.41) NPC1ALDH1A1CYP1A2HPGDMEN1
SCHEMBL12309710 0.74 GPR84 (0.53) GPR84ATMHTR2AIMPDH2IMPDH1
SCHEMBL29907238 0.74 TUBB4A (0.53) GPR84ATMIDO1IMPDH2IMPDH1
SCHEMBL31490959 0.73 AR (0.47) HTR2AKIF11MAPT
SCHEMBL28150090 0.73 GPR84 (0.49) GPR84ATMHTR2AIDO1TUBB4A
SCHEMBL231786 0.72 TSHR (0.44) TSHRALDH1A1MAPT

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-118725317-A Porphyrin-based cationic covalent organic framework material and preparation method and application thereof 曲靖师范学院 2024-10-01 CN disclosed