SCHEMBL29055657

SCHEMBL29055657

CCOc1ccc2[nH]cc(I)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 1/20 0.50
▸ TUBB4B P68371 1/20 0.50
▸ TUBB3 Q13509 1/20 0.50
▸ TUBB2A Q13885 1/20 0.50
▸ TUBB8 Q3ZCM7 1/20 0.50
▸ TUBA3E Q6PEY2 1/20 0.50
▸ TUBA1A Q71U36 1/20 0.50

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
SCHEMBL13302210 0.81 GPR84 (0.62) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL31357856 0.81 GPR84 (0.62) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL15704591 0.80 KDM4E (0.54) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL12612851 0.78 HTR1B (0.56) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL5461339 0.78 CYP2D6 (0.56) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL12881301 0.78 HTR1A (0.66) MEN1KMT2AMAPTHTR7HTR6
SCHEMBL17429435 0.76 HTT (0.67) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL4607814 0.76 ALDH1A1 (0.70) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL5953065 0.75 TTK (0.62) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL24453112 0.75 CYP2D6 (0.74) MEN1KMT2AMAPTHTR7HTR6

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-116606237-A Synthesis method of tryptophan derivative 上海吉奉生物科技有限公司 2023-08-18 — — CN disclosed
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