SCHEMBL27373629

SCHEMBL27373629

CCC1(c2ccccc2)c2cc(C(C)=O)ccc2NC(C=O)N1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 9/20 0.33
▸ F7 P08709 8/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MITF O75030 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYBB P04839 1/20 0.33
▸ APP P05067 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ NOX3 Q9HBY0 1/20 0.33
▸ NOX4 Q9NPH5 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ F10 P00742 7/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31

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
SCHEMBL9540174 0.78 AKR1B1 (0.42) MEN1MITFKMT2AGAAMAPT
SCHEMBL27353793 0.67 IDO1 (0.36) MEN1KMT2A
SCHEMBL11722555 0.59 ALDH1A1 (0.43) KMT2AGAAMAPTPDK2POLB
SCHEMBL9539805 0.57 PGR (0.41) MEN1KMT2AMAPT
SCHEMBL18012748 0.57 PDK2 (0.58) MAPTPDK2
SCHEMBL9571265 0.57 AKR1B1 (0.47) MEN1MITFKMT2APDK2TSHR
SCHEMBL18012639 0.57 NPC1 (0.52) KMT2AMAPTPDK2POLB
Acetophenone SCHEMBL27469600 0.55 SMN1; SMN2 (0.54) MEN1KMT2AMAPTALOX15
Acetophenone SCHEMBL27977927 0.55 SMN1; SMN2 (0.54) MEN1KMT2AMAPTALOX15TSHR
SCHEMBL19075863 0.55 PDK2 (0.51) MEN1KMT2AGAAMAPTCYBB

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-1071917-A Quinazoline derivant as human immunodeficiency virus reversed transcriptive enzyme antagonist MERCK & CO INC (US) 1993-05-12 — — CN disclosed
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