SCHEMBL11302970

SCHEMBL11302970

CCCN(CCC)C(=S)Sc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.50
▸ BCHE P06276 2/20 0.40
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL11770708 0.81 TP53 (0.49) BCHETP53ALDH1A1SMN1; SMN2ANPEP
SCHEMBL27649469 0.80 PKM (0.55) PKMTP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL11764839 0.74 HDAC3 (0.41) ALDH1A1ANPEPEPHX1SLC6A4KCNH2
SCHEMBL6884022 0.73 ALDH1A1 (0.59) PKMALDH1A1
SCHEMBL9872134 0.72 ALDH1A1 (0.53) PKMALDH1A1MAPTSMN1; SMN2
SCHEMBL27629377 0.71 ALDH1A1 (0.52) PKMALDH1A1MAPTSMN1; SMN2
SCHEMBL27629390 0.69 MGLL (0.47) PKMALDH1A1SMN1; SMN2KCNH2
SCHEMBL27629381 0.69 MGLL (0.47) PKMALDH1A1SMN1; SMN2KCNH2
SCHEMBL27649554 0.69 MGLL (0.47) PKMALDH1A1SMN1; SMN2KCNH2
SCHEMBL27649476 0.69 MGLL (0.47) PKMALDH1A1SMN1; SMN2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225682-A PEPTIZED DENKA CHEMICAL CORPORATION (US) 1980-09-30 — — US claimed
US-4250083-A A STYRENATED DIPHENYLAMINE PRESENT DURING EMULSION POLYMERIZATION FOLLOWED BY PEPTIZATION; STORAGE STABILITY DENKA CHEMICAL CORPORATION (US) 1981-02-10 — — US disclosed
US-4225682-A PEPTIZED DENKA CHEMICAL CORPORATION (US) 1980-09-30 — — US disclosed
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