SCHEMBL8792880

SCHEMBL8792880

CC(=O)Nc1ccc(C)cc1N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 8/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ KCNQ2 O43526 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL28772030 0.88 ALDH1A1 (0.53) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL14228573 0.86 ALDH1A1 (0.55) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL8319530 0.84 MAPT (0.47) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL9982871 0.84 KMT2A (0.43) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL8798225 0.79 TSHR (0.48) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL10144751 0.79 L3MBTL1 (0.66) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL1643994 0.78 NPSR1 (0.68) POLBMEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL28316912 0.77 MAPT (0.42) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL27885280 0.77 MAPT (0.44) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12069190 0.76 CKS1B (0.45) LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444944-B1 Synthesis and elucidation of azamitosene and iminoazamitosene RES CORP TECHNOLOGIES INC (US) 1997-09-24 — — EP disclosed
US-5246955-A Pyrrolo(1,2-a)benzimidazole 5,8-diones, antitumor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-09-21 — — US disclosed
EP-0449649-A2 Antineoplastic quinones and methods of using same RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-02 — — EP disclosed
EP-0444944-A2 Synthesis and elucidation of azamitosene and iminoazamitosene RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-09-04 — — EP disclosed
US-5015742-A Antitumor agents ARIZONA BOARD OF REGENTS (US) 1991-05-14 — — US disclosed
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