SCHEMBL28983677

SCHEMBL28983677

Cn1ccc(-c2cc([N+](=O)[O-])cnc2N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BMPR1A P36894 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ GRK5 P34947 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ IKBKE Q14164 1/20 0.38

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
SCHEMBL30177024 1.00 PIK3CD (0.42) PIK3CDPIK3CBPIK3CGALDH1A1LMNA
SCHEMBL19480882 0.76 CYP2A6 (0.46) PIK3CDPIK3CBPIK3CGKMT2ABMPR1A
SCHEMBL30177045 0.76 IDO1 (0.36) PIK3CDPIK3CBPIK3CGALDH1A1LMNA
SCHEMBL26196389 0.76 IDO1 (0.36) PIK3CDPIK3CBPIK3CGALDH1A1LMNA
SCHEMBL19480880 0.75 ATR (0.42) PIK3CDPIK3CBPIK3CGKMT2ABMPR1A
SCHEMBL29857640 0.75 KMT2A (0.43) PIK3CDPIK3CBPIK3CGALDH1A1SMN1; SMN2
SCHEMBL26916829 0.75 KMT2A (0.43) PIK3CDPIK3CBPIK3CGALDH1A1SMN1; SMN2
SCHEMBL31415362 0.74 MAPT (0.46) ALDH1A1LMNASMN1; SMN2MEN1CYP3A4
SCHEMBL14401081 0.72 TDP1 (0.50) ALDH1A1LMNASMN1; SMN2MEN1CYP3A4
SCHEMBL25294640 0.72 ALDH1A1 (0.51) ALDH1A1POLB

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-115605460-A Synthesis of heterocyclic compounds 普莱希科公司(US) 2023-01-13 — — CN disclosed
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