SCHEMBL31198258

SCHEMBL31198258

O=C(Oc1ccc2ccc3ccccc3c2c1)N1CC2COCC2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CHRNA3 P32297 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ EPHX1 P07099 3/20 0.40
▸ NCEH1 Q6PIU2 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL31198253 1.00 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCHRNA3KMT2AHTT
SCHEMBL30593632 0.84 CHRNA3 (0.45) SMN1; SMN2TSHRCHRNA3KMT2AHTT
SCHEMBL30593635 0.82 SMN1; SMN2 (0.53) SMN1; SMN2TSHRCHRNA3KMT2AMEN1
SCHEMBL31198244 0.81 CHRNA3 (0.48) SMN1; SMN2TSHRCHRNA3KMT2AHTT
SCHEMBL29965119 0.76 SMN1; SMN2 (0.55) SMN1; SMN2TSHRCHRNA3KMT2AMEN1
SCHEMBL30628898 0.76 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCHRNA3KMT2AHTT
SCHEMBL12467310 0.76 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCHRNA3KMT2AHTT
SCHEMBL30628897 0.76 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCHRNA3KMT2AHTT
SCHEMBL29965066 0.76 SMN1; SMN2 (0.54) SMN1; SMN2TSHRKMT2AMEN1HSD17B10
SCHEMBL31198250 0.76 SMN1; SMN2 (0.40) SMN1; SMN2TSHRCHRNA3KMT2AHTT

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-118871116-A Compounds for the treatment of cancer 卡希夫生物科学有限公司 2024-10-29 — — CN disclosed
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