SCHEMBL28686221

SCHEMBL28686221

CC(c1ccccc1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
GPR84 Q9NQS5 5/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 3/20 0.41
MAPT P10636 2/20 0.41
AHR P35869 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL29885789 0.88 ATM (0.54) ATMGPR84MEN1KMT2ACYP3A4
SCHEMBL13335152 0.88 ATM (0.54) ATMGPR84MEN1KMT2ACYP3A4
SCHEMBL19335771 0.83 MC5R (0.37) ATMGPR84MEN1KMT2AMAPT
SCHEMBL28703411 0.82 CAMK2D (0.41) ATMGPR84MEN1KMT2ACYP3A4
SCHEMBL7915295 0.81 ATM (0.45) ATMGPR84MEN1KMT2ACYP3A4
SCHEMBL1685393 0.80 ATM (0.54) ATMGPR84MEN1KMT2ACYP3A4
SCHEMBL799601 0.80 ATM (0.54) ATMGPR84MEN1KMT2ACYP3A4
SCHEMBL30437029 0.80 ATM (0.54) ATMGPR84MEN1KMT2ACYP3A4
SCHEMBL10757286 0.78 KCNN4 (0.46) ATMGPR84MEN1KMT2ACYP3A4
SCHEMBL19059561 0.78 GPR84 (0.47) ATMGPR84MEN1KMT2ACYP3A4

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-113292475-A Preparation method of bis-indole phenethylene compound 黄山金石木塑料科技有限公司 2021-08-24 CN disclosed