SCHEMBL30735978

SCHEMBL30735978

CN1CCC(N2CCN(c3cnc(-c4cccc(C(N)=O)c4)nc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.48
▸ ACACA Q13085 1/20 0.48
▸ ACVR1 Q04771 4/20 0.47
▸ TP53BP1 Q12888 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MET P08581 2/20 0.44
▸ L3MBTL3 Q96JM7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CHEK1 O14757 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
SCHEMBL13099323 0.78 CHEK1 (0.53) TP53BP1ALDH1A1KDM4ECHEK1
SCHEMBL1950805 0.75 TP53BP1 (0.51) TP53BP1ALDH1A1
SCHEMBL3728008 0.73 AOC3 (0.57) TP53BP1ALDH1A1KDM4ECHEK1
SCHEMBL30116307 0.73 CYP3A4 (0.48) CHEK1
SCHEMBL1397689 0.72 ADRA2C (0.62) TP53BP1ALDH1A1KDM4E
SCHEMBL30760618 0.72 ADRA2C (0.62) TP53BP1ALDH1A1KDM4E
SCHEMBL3031402 0.71 NPC1 (0.47) ACACBACACAHRH3
Hydrochloric Acid SCHEMBL30760605 0.71 ADRA2C (0.60) TP53BP1ALDH1A1KDM4ECHEK1
Hydrochloric Acid SCHEMBL16209753 0.71 ADRA2C (0.60) TP53BP1ALDH1A1KDM4ECHEK1
SCHEMBL30881162 0.71 MET (0.55) ALDH1A1METKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396463-A Benzamide derivative for preventing or treating cancer, method for preparing the same, and pharmaceutical composition containing the same as active ingredient 怡诺安有限公司 2024-01-12 — — CN claimed
CN-117396463-A Benzamide derivative for preventing or treating cancer, method for preparing the same, and pharmaceutical composition containing the same as active ingredient 怡诺安有限公司 2024-01-12 — — CN disclosed
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