SCHEMBL31301353

SCHEMBL31301353

c1ccc(Sc2cccc3c2ccc2ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.54
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL30544440 0.88 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2890325 0.88 IFNAR1 (0.49) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL2944062 0.88 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL31490493 0.88 IFNAR1 (0.49) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL19917023 0.82 TUBB4A (0.46) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27806196 0.81 IFNAR1 (0.44) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL8812298 0.80 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1394585 0.79 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30958572 0.78 ALDH1A1 (0.46) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL25840624 0.77 HPRT1 (0.41) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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-118978463-A Synthesis method of 9-aryl-10-sulfoxide phenanthrene compound 淮北师范大学 2024-11-19 CN disclosed